3-[[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-diethyl-azanium chloride

Systemtic Name: 3-[[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-diethyl-azanium chloride Openeye Name: 3-[[2-(4-butoxycarbonylanilino)-2-oxo-acetyl]amino]propyl-diethyl-ammonium chloride CAS Name: 3-[[2-[4-[butoxy(oxo)methyl]anilino]-1,2-dioxoethyl]amino]propyl-diethylammonium chloride IUPAC Name: 3-[[2-(4-butoxycarbonylanilino)-2-oxoacetyl]amino]propyl-diethylazanium chloride Traditional Name: 3-[[2-(4-butoxycarbonylanilino)-2-keto-acetyl]amino]propyl-diethyl-ammonium chloride Formula: C20H32ClN3O4 MolecularWeight: 413.93878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCCC[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C20H31N3O4.ClH/c1-4-7-15-27-20(26)16-9-11-17(12-10-16)22-19(25)18(24)21-13-8-14-23(5-2)6-3;/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)(H,22,25);1H