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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: homoveratryl-[(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl]-methyl-ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-6-28-19-10-8-18(9-11-19)23-22(25)16(2)24(3)14-13-17-7-12-20(26-4)21(15-17)27-5/h7-12,15-16H,6,13-14H2,1-5H3,(H,23,25)/p+1/t16-/m0/s1