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

Systemtic Name: 1-butyl-4-oxidanyl-3-pyridin-1-ium-1-ylcarbonyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one Openeye Name: 1-butyl-4-hydroxy-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one CAS Name: 1-butyl-4-hydroxy-3-[oxo(1-pyridin-1-iumyl)methyl]-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one IUPAC Name: 1-butyl-4-hydroxy-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one Traditional Name: 1-butyl-4-hydroxy-3-(pyridin-1-ium-1-carbonyl)-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one Formula: C19H27N2O3+ MolecularWeight: 331.42928

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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/C19H27N2O3/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/h4,7-8,11-12,14-17,22H,2-3,5-6,9-10,13H2,1H3/q+1