[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-methyl-(4-methylcyclohexyl)azanium

Systemtic Name: [(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-methyl-(4-methylcyclohexyl)azanium Openeye Name: [(3S)-3-cyano-2-oxo-3-phenyl-propyl]-methyl-(4-methylcyclohexyl)ammonium CAS Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-methyl-(4-methylcyclohexyl)ammonium IUPAC Name: [(3S)-3-cyano-2-oxo-3-phenylpropyl]-methyl-(4-methylcyclohexyl)azanium Traditional Name: [(3S)-3-cyano-2-keto-3-phenyl-propyl]-methyl-(4-methylcyclohexyl)ammonium Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+](C)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC1CCC(CC1)[NH+](C)CC(=O)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O/c1-14-8-10-16(11-9-14)20(2)13-18(21)17(12-19)15-6-4-3-5-7-15/h3-7,14,16-17H,8-11,13H2,1-2H3/p+1/t14?,16?,17-/m1/s1