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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-homoveratryl-methyl-ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-15(22(26)23-19-8-6-7-18(14-19)16(2)25)24(3)12-11-17-9-10-20(27-4)21(13-17)28-5/h6-10,13-15H,11-12H2,1-5H3,(H,23,26)/p+1/t15-/m1/s1