2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: homoveratryl-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O3/c1-18-9-12-21(13-10-18)27-25(28)24(20-7-5-4-6-8-20)26-16-15-19-11-14-22(29-2)23(17-19)30-3/h4-14,17,24,26H,15-16H2,1-3H3,(H,27,28)/p+1/t24-/m0/s1