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

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C22H25N2O4+ MolecularWeight: 381.4449

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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-4-27-22(26)21-18(17-7-5-6-8-19(17)28-21)13-24(3)14-20(25)23-16-11-9-15(2)10-12-16/h5-12H,4,13-14H2,1-3H3,(H,23,25)/p+1