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

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-methyl-ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-methylazanium Traditional Name: [5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-benzyl-methyl-ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-28(14-16-5-3-2-4-6-16)15-21-7-8-22(24(29)26-21)25(30)27-23-19-10-17-9-18(12-19)13-20(23)11-17/h2-8,17-20,23H,9-15H2,1H3,(H,26,29)(H,27,30)/p+1