[(1S)-2-[3-(2,4-dimethylphenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(2,4-dimethylphenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(2,4-dimethylphenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(2,4-dimethylphenyl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(2,4-dimethylphenyl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(2,4-dimethylphenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C21H28N2O/c1-16-10-11-18(17(2)14-16)12-13-21(24)22-15-20(23(3)4)19-8-6-5-7-9-19/h5-11,14,20H,12-13,15H2,1-4H3,(H,22,24)/p+1/t20-/m1/s1