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

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

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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