[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(4-carbethoxyanilino)-2-keto-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C(=O)OCC)OC

InChI

InChI=1S/C22H28N2O5/c1-5-28-19-12-7-16(13-20(19)27-4)14-24(3)15-21(25)23-18-10-8-17(9-11-18)22(26)29-6-2/h7-13H,5-6,14-15H2,1-4H3,(H,23,25)/p+1