[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl]-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl]-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-(4-chloroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-3-27-21(26)20-17(16-6-4-5-7-18(16)28-20)12-24(2)13-19(25)23-15-10-8-14(22)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,23,25)/p+1