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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O2/c1-2-7-27(14-16-3-4-16)15-20-5-6-21(22(28)25-20)23(29)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h5-6,16-19H,2-4,7-15H2,1H3,(H,25,28)(H,26,29)/p+1