N-[(3-methoxy-1-adamantyl)carbonyl]-2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]benzonitrilium

Systemtic Name: N-[(3-methoxy-1-adamantyl)carbonyl]-2-[4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]phenyl]benzonitrilium Openeye Name: 2-[4-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]phenyl]-N-(3-methoxyadamantane-1-carbonyl)benzonitrilium CAS Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]-N-[(3-methoxy-1-adamantyl)-oxomethyl]benzonitrilium IUPAC Name: 2-[4-[(1-hydroxy-1-oxopropan-2-yl)amino]phenyl]-N-(3-methoxyadamantane-1-carbonyl)benzonitrilium Traditional Name: 2-[4-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]phenyl]-N-(3-methoxyadamantane-1-carbonyl)benzonitrilium Formula: C28H31N2O4+ MolecularWeight: 459.55674

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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)C34CC5CC(C3)CC(C5)(C4)OC

Isomeric SMILES

CC(C(=O)O)NC1=CC=C(C=C1)C2=CC=CC=C2C#[N+]C(=O)C34CC5CC(C3)CC(C5)(C4)OC

InChI

InChI=1S/C28H30N2O4/c1-18(25(31)32)30-23-9-7-21(8-10-23)24-6-4-3-5-22(24)16-29-26(33)27-12-19-11-20(13-27)15-28(14-19,17-27)34-2/h3-10,18-20H,11-15,17H2,1-2H3,(H,31,32)/p+1