[5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)ammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butylazanium Traditional Name: [5-(1-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium Formula: C28H38N3O2+ MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H37N3O2/c1-2-3-11-31(18-20-7-5-4-6-8-20)19-24-9-10-25(26(32)29-24)27(33)30-28-15-21-12-22(16-28)14-23(13-21)17-28/h4-10,21-23H,2-3,11-19H2,1H3,(H,29,32)(H,30,33)/p+1