1-butyl-2-oxidanylidene-3-pyridin-1-ium-1-ylcarbonyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate

Systemtic Name: 1-butyl-2-oxidanylidene-3-pyridin-1-ium-1-ylcarbonyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate Openeye Name: 1-butyl-2-oxo-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate CAS Name: 1-butyl-2-oxo-3-[oxo(1-pyridin-1-iumyl)methyl]-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate IUPAC Name: 1-butyl-2-oxo-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate Traditional Name: 1-butyl-2-keto-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-4-olate Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2CCCCC2C(C(C1=O)C(=O)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCN1C2CCCCC2C(C(C1=O)C(=O)[N+]3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H26N2O3/c1-2-3-13-21-15-10-6-5-9-14(15)17(22)16(19(21)24)18(23)20-11-7-4-8-12-20/h4,7-8,11-12,14-17H,2-3,5-6,9-10,13H2,1H3