2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]-N-(oxolan-3-ylcarbonyl)benzonitrilium

Systemtic Name: 2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]-N-(oxolan-3-ylcarbonyl)benzonitrilium Openeye Name: 2-[4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]-N-(tetrahydrofuran-3-carbonyl)benzonitrilium CAS Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]-N-[oxo(3-oxolanyl)methyl]benzonitrilium IUPAC Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]-N-(oxolane-3-carbonyl)benzonitrilium Traditional Name: 2-[4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]-N-(tetrahydrofuran-3-carbonyl)benzonitrilium Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=C(C=C1)C2=CC=CC=C2C#[N+]C(=O)C3CCOC3

Isomeric SMILES

CC(C(=O)O)NC1=CC=C(C=C1)C2=CC=CC=C2C#[N+]C(=O)C3CCOC3

InChI

InChI=1S/C21H20N2O4/c1-14(21(25)26)23-18-8-6-15(7-9-18)19-5-3-2-4-16(19)12-22-20(24)17-10-11-27-13-17/h2-9,14,17H,10-11,13H2,1H3,(H,25,26)/p+1