N-cyclohexyl-2-methyl-3-oxidanyl-3-oxidanylidene-2-phenyl-propanenitrilium

Systemtic Name: N-cyclohexyl-2-methyl-3-oxidanyl-3-oxidanylidene-2-phenyl-propanenitrilium Openeye Name: N-cyclohexyl-3-hydroxy-2-methyl-3-oxo-2-phenyl-propanenitrilium CAS Name: N-cyclohexyl-3-hydroxy-2-methyl-3-oxo-2-phenylpropanenitrilium IUPAC Name: N-cyclohexyl-3-hydroxy-2-methyl-3-oxo-2-phenylpropanenitrilium Traditional Name: N-cyclohexyl-3-hydroxy-3-keto-2-methyl-2-phenyl-propiononitrilium Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#[N+]C1CCCCC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C#[N+]C1CCCCC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-16(15(18)19,13-8-4-2-5-9-13)12-17-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3/p+1