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Substance Summary (SID 194681)


Data Source:   
Depositor: ChemIDplus
External ID: 100243343

Depositor-Supplied Synonyms: (Total: 4)
Sort:
N-(2-Diethylaminoethyl)-N-(4-pyridylmethyl)benzamide hydrochloride
N-(4-Piridinmetil)-N-beta-dietilamminoetilbenzammide cloridrato [Italian]
BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-N-(4-PYRIDYLMETHYL)-, HYDROCHLORIDE
100243-34-3


Properties Computed from Structure:
Molecular Weight347.88224 [g/mol]
Molecular FormulaC19H26ClN3O
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count8
Exact Mass347.17644
MonoIsotopic Mass347.17644
Topological Polar Surface Area37.6
Heavy Atom Count24
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2


Descriptors Computed from Structure:
IUPAC Name: 2-[benzoyl(pyridin-4-ylmethyl)amino]ethyl-diethylazanium chloride
Canonical SMILES: CC[NH+](CC)CCN(CC1=CC=NC=C1)C(=O)C2=CC=CC=C2.[Cl-]
InChI: InChI=1S/C19H25N3O.ClH/c1-3-21(4-2)14-15-22(16-17-10-12-20-13-11-17)19
(23)18-8-6-5-7-9-18;/h5-13H,3-4,14-16H2,1-2H3;1H
InChIKey: SCHOEMCZTJDZTL-UHFFFAOYSA-N


Substance Information:
SID 194681   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 57658   
Create Date: 2005-08-08
Parent CID 57659
Unique Components: 2 Links

Related Substances:
Same: 4 Links

Similar Substances: 3476 Links

     
Compound Displayed

2D

3D
Compound ID57658
Molecular Weight347.88224 [g/mol]
Molecular FormulaC19H26ClN3O
H-Bond Donor1
H-Bond Acceptor3


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