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

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CC=N1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC=C(C(=O)N2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H31N5O2/c1-27(7-8-28-6-2-5-24-28)14-19-3-4-20(22(29)25-19)23(30)26-21-17-10-15-9-16(12-17)13-18(21)11-15/h2-6,15-18,21H,7-14H2,1H3,(H,25,29)(H,26,30)/p+1