(4-methoxy-3-methoxycarbonyl-phenyl)methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (4-methoxy-3-methoxycarbonyl-phenyl)methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (4-methoxy-3-methoxycarbonyl-phenyl)methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (4-methoxy-3-methoxycarbonylphenyl)methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (4-methoxy-3-methoxycarbonylphenyl)methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC3=CC(=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C25H26N2O4/c1-17-9-12-20(13-10-17)27-24(28)23(19-7-5-4-6-8-19)26-16-18-11-14-22(30-2)21(15-18)25(29)31-3/h4-15,23,26H,16H2,1-3H3,(H,27,28)/p+1/t23-/m0/s1