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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-homoveratryl-methyl-ammonium Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-16(2)19-8-10-20(11-9-19)24-23(26)17(3)25(4)14-13-18-7-12-21(27-5)22(15-18)28-6/h7-12,15-17H,13-14H2,1-6H3,(H,24,26)/p+1/t17-/m0/s1