3-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C20H18N3O4+ MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C20H17N3O4/c1-23-15-5-3-2-4-12(15)19(24)18(20(23)25)14-9-13(21-22-14)11-6-7-16-17(8-11)27-10-26-16/h2-8,13,18,21H,9-10H2,1H3/p+1