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

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butyl-ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-(phenylmethyl)ammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-butylazanium Traditional Name: [5-(2-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)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

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