[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclohexyl-methyl-azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-cyclohexyl-methyl-azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-cyclohexyl-methylazanium Traditional Name: [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-cyclohexyl-methyl-ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)C2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)C2CCCCC2

InChI

InChI=1S/C17H23N3O/c1-13(20(2)16-6-4-3-5-7-16)17(21)19-15-10-8-14(12-18)9-11-15/h8-11,13,16H,3-7H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1