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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-homoveratryl-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H30N2O3/c1-6-17-7-10-19(11-8-17)23-22(25)16(2)24(3)14-13-18-9-12-20(26-4)21(15-18)27-5/h7-12,15-16H,6,13-14H2,1-5H3,(H,23,25)/p+1/t16-/m0/s1