[(1S)-2-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H26ClN2O+ MolecularWeight: 345.88624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O/c1-15-9-10-16(13-18(15)21)11-12-20(24)22-14-19(23(2)3)17-7-5-4-6-8-17/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,24)/p+1/t19-/m1/s1