2-[4-[[(3,4-diethoxyphenyl)carbonylamino]methyl]phenoxy]ethyl-methyl-azanium chloride

Systemtic Name: 2-[4-[[(3,4-diethoxyphenyl)carbonylamino]methyl]phenoxy]ethyl-methyl-azanium chloride Openeye Name: 2-[4-[[(3,4-diethoxybenzoyl)amino]methyl]phenoxy]ethyl-methyl-ammonium chloride CAS Name: 2-[4-[[[(3,4-diethoxyphenyl)-oxomethyl]amino]methyl]phenoxy]ethyl-methylammonium chloride IUPAC Name: 2-[4-[[(3,4-diethoxybenzoyl)amino]methyl]phenoxy]ethyl-methylazanium chloride Traditional Name: 2-[4-[[(3,4-diethoxybenzoyl)amino]methyl]phenoxy]ethyl-methyl-ammonium chloride Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCC[NH2+]C)OCC.[Cl-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCC[NH2+]C)OCC.[Cl-]

InChI

InChI=1S/C21H28N2O4.ClH/c1-4-25-19-11-8-17(14-20(19)26-5-2)21(24)23-15-16-6-9-18(10-7-16)27-13-12-22-3;/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24);1H