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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-veratryl-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)[NH+](C)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-18-10-13-21(14-11-18)26-25(28)24(20-8-6-5-7-9-20)27(2)17-19-12-15-22(29-3)23(16-19)30-4/h5-16,24H,17H2,1-4H3,(H,26,28)/p+1/t24-/m0/s1