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

Systemtic Name: [5-(2-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-butyl-methyl-azanium Openeye Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-butyl-methyl-ammonium CAS Name: [5-[(2-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-butyl-methylammonium IUPAC Name: [5-(2-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-butyl-methylazanium Traditional Name: [5-(2-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-butyl-methyl-ammonium Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC=C(C(=O)N1)C(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCCC[NH+](C)CC1=CC=C(C(=O)N1)C(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H33N3O2/c1-3-4-7-25(2)13-18-5-6-19(21(26)23-18)22(27)24-20-16-9-14-8-15(11-16)12-17(20)10-14/h5-6,14-17,20H,3-4,7-13H2,1-2H3,(H,23,26)(H,24,27)/p+1