cyclohexyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: cyclohexyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: cyclohexyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: cyclohexyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: cyclohexyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: cyclohexyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]ammonium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]C3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]C3CCCCC3

InChI

InChI=1S/C22H28N2O/c1-16-13-14-17(2)20(15-16)24-22(25)21(18-9-5-3-6-10-18)23-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19,21,23H,4,7-8,11-12H2,1-2H3,(H,24,25)/p+1/t21-/m0/s1