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

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-cyclohexyl-methylammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-cyclohexyl-methylazanium Traditional Name: [5-(1-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-cyclohexyl-methyl-ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5CCCCC5

Isomeric SMILES

C[NH+](CC1=CC=C(C(=O)N1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5CCCCC5

InChI

InChI=1S/C24H35N3O2/c1-27(20-5-3-2-4-6-20)15-19-7-8-21(22(28)25-19)23(29)26-24-12-16-9-17(13-24)11-18(10-16)14-24/h7-8,16-18,20H,2-6,9-15H2,1H3,(H,25,28)(H,26,29)/p+1