1-butyl-1-oxidanyl-quinolin-1-ium-4-one

Systemtic Name: 1-butyl-1-oxidanyl-quinolin-1-ium-4-one Openeye Name: 1-butyl-1-hydroxy-quinolin-1-ium-4-one CAS Name: 1-butyl-1-hydroxy-4-quinolin-1-iumone IUPAC Name: 1-butyl-1-hydroxyquinolin-1-ium-4-one Traditional Name: 1-butyl-1-hydroxy-quinolin-1-ium-4-one Formula: C13H16NO2+ MolecularWeight: 218.27164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=CC(=O)C2=CC=CC=C21)O

Isomeric SMILES

CCCC[N+]1(C=CC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C13H16NO2/c1-2-3-9-14(16)10-8-13(15)11-6-4-5-7-12(11)14/h4-8,10,16H,2-3,9H2,1H3/q+1