[1-[(4-bromanyl-2-carboxy-phenyl)amino]-3-(3-chlorophenyl)propan-2-yl]-ethoxycarbonyl-dimethyl-azanium

Systemtic Name: [1-[(4-bromanyl-2-carboxy-phenyl)amino]-3-(3-chlorophenyl)propan-2-yl]-ethoxycarbonyl-dimethyl-azanium Openeye Name: [1-[(4-bromo-2-carboxy-anilino)methyl]-2-(3-chlorophenyl)ethyl]-ethoxycarbonyl-dimethyl-ammonium CAS Name: [1-(4-bromo-2-carboxyanilino)-3-(3-chlorophenyl)propan-2-yl]-ethoxycarbonyl-dimethylammonium IUPAC Name: [1-(4-bromo-2-carboxyanilino)-3-(3-chlorophenyl)propan-2-yl]-ethoxycarbonyl-dimethylazanium Traditional Name: [1-[(4-bromo-2-carboxy-anilino)methyl]-2-(3-chlorophenyl)ethyl]-carbethoxy-dimethyl-ammonium Formula: C21H25BrClN2O4+ MolecularWeight: 484.7912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C)(C)C(CC1=CC(=CC=C1)Cl)CNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCOC(=O)[N+](C)(C)C(CC1=CC(=CC=C1)Cl)CNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C21H24BrClN2O4/c1-4-29-21(28)25(2,3)17(11-14-6-5-7-16(23)10-14)13-24-19-9-8-15(22)12-18(19)20(26)27/h5-10,12,17,24H,4,11,13H2,1-3H3/p+1