5-methoxy-N-methyl-5-oxidanylidene-2-phenyl-2-propan-2-yl-pentanenitrilium

Systemtic Name: 5-methoxy-N-methyl-5-oxidanylidene-2-phenyl-2-propan-2-yl-pentanenitrilium Openeye Name: 2-isopropyl-5-methoxy-N-methyl-5-oxo-2-phenyl-pentanenitrilium CAS Name: 5-methoxy-N-methyl-5-oxo-2-phenyl-2-propan-2-ylpentanenitrilium IUPAC Name: 5-methoxy-N-methyl-5-oxo-2-phenyl-2-propan-2-ylpentanenitrilium Traditional Name: 2-isopropyl-5-keto-5-methoxy-N-methyl-2-phenyl-valeronitrilium Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)OC)(C#[N+]C)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCC(=O)OC)(C#[N+]C)C1=CC=CC=C1

InChI

InChI=1S/C16H22NO2/c1-13(2)16(12-17-3,11-10-15(18)19-4)14-8-6-5-7-9-14/h5-9,13H,10-11H2,1-4H3/q+1