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

Systemtic Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[homoveratryl(methyl)amino]-2-keto-ethyl]ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C20H26N2O3/c1-22(20(23)17(21)13-15-7-5-4-6-8-15)12-11-16-9-10-18(24-2)19(14-16)25-3/h4-10,14,17H,11-13,21H2,1-3H3/p+1/t17-/m0/s1