5-(1-oxidanidylquinolin-1-ium-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1-oxidanidylquinolin-1-ium-4-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(1-oxidoquinolin-1-ium-4-yl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-(1-oxido-4-quinolin-1-iumyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(1-oxidoquinolin-1-ium-4-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-(1-oxidoquinolin-1-ium-4-yl)cyclohexane-1,3-quinone Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC=[N+](C3=CC=CC=C23)[O-])O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC=[N+](C3=CC=CC=C23)[O-])O

InChI

InChI=1S/C18H17NO4/c1-2-15(20)18-16(21)9-11(10-17(18)22)12-7-8-19(23)14-6-4-3-5-13(12)14/h3-8,11,20H,2,9-10H2,1H3