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

Systemtic Name: [(1R)-1-(4-dimethylaminophenyl)-2-(3-phenylpropanoylamino)ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-dimethylaminophenyl)-2-(3-phenylpropanoylamino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-dimethylaminophenyl)-2-[(1-oxo-3-phenylpropyl)amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-dimethylaminophenyl)-2-(3-phenylpropanoylamino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-dimethylaminophenyl)-2-(hydrocinnamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCC1=CC=CC=C1)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)CCC1=CC=CC=C1)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H29N3O/c1-23(2)19-13-11-18(12-14-19)20(24(3)4)16-22-21(25)15-10-17-8-6-5-7-9-17/h5-9,11-14,20H,10,15-16H2,1-4H3,(H,22,25)/p+1/t20-/m0/s1