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

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-methyl-ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-methylazanium Traditional Name: [5-(1-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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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