(3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-veratryl-ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O3/c1-18(27(2)17-19-14-15-23(29-3)24(16-19)30-4)25(28)26-22-13-9-8-12-21(22)20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,26,28)/p+1/t18-/m0/s1