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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-19(28(2)17-16-20-14-15-24(30-3)25(18-20)31-4)26(29)27-23-13-9-8-12-22(23)21-10-6-5-7-11-21/h5-15,18-19H,16-17H2,1-4H3,(H,27,29)/p+1/t19-/m1/s1