[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylallyl)ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-ethyl-(2-methylallyl)ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4)CC(=C)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4)CC(=C)C

InChI

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