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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]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)[NH2+]CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH2+]CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O3/c1-18(26-16-15-19-13-14-23(29-2)24(17-19)30-3)25(28)27-22-12-8-7-11-21(22)20-9-5-4-6-10-20/h4-14,17-18,26H,15-16H2,1-3H3,(H,27,28)/p+1/t18-/m0/s1