3-[[2-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[[2-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[[2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[2-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]propyl-dimethylazanium chloride Traditional Name: dimethyl-[3-[[2-(veratroylamino)benzoyl]amino]propyl]ammonium chloride Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)OC.[Cl-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)OC.[Cl-]

InChI

InChI=1S/C21H27N3O4.ClH/c1-24(2)13-7-12-22-21(26)16-8-5-6-9-17(16)23-20(25)15-10-11-18(27-3)19(14-15)28-4;/h5-6,8-11,14H,7,12-13H2,1-4H3,(H,22,26)(H,23,25);1H