dimethyl-[(1R)-1-(4-methylphenyl)-2-(3-phenylpropanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-(3-phenylpropanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1R)-2-(3-phenylpropanoylamino)-1-(p-tolyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-[(1-oxo-3-phenylpropyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-(4-methylphenyl)-2-(3-phenylpropanoylamino)ethyl]azanium Traditional Name: [(1R)-2-(hydrocinnamoylamino)-1-(p-tolyl)ethyl]-dimethyl-ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CCC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)CCC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H26N2O/c1-16-9-12-18(13-10-16)19(22(2)3)15-21-20(23)14-11-17-7-5-4-6-8-17/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,21,23)/p+1/t19-/m0/s1