[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]-[(2,4-dimethylphenyl)methyl]-methyl-ammonium CAS Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2,4-dimethylphenyl)methyl]-methylammonium IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)C(C2=CC=CC=C2)C(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C21H26N2O/c1-15-9-10-18(16(2)13-15)14-23(3)20(17-7-5-4-6-8-17)21(24)22-19-11-12-19/h4-10,13,19-20H,11-12,14H2,1-3H3,(H,22,24)/p+1/t20-/m0/s1