3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1H-pyrazol-3-yl]-1-ethyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxidanylidene-1H-pyrazol-3-yl]-1-ethyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1H-pyrazol-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one CAS Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1H-pyrazol-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-5-oxo-1H-pyrazol-3-yl]-1-ethyl-2-hydroxy-3H-quinolin-1-ium-4-one Traditional Name: 1-ethyl-2-hydroxy-3-[(4Z)-5-keto-4-piperonylidene-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C22H18N3O5+ MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(=O)C3=CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CC[N+]1=C(C(C(=O)C2=CC=CC=C21)C\3=NNC(=O)/C3=C\C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H17N3O5/c1-2-25-15-6-4-3-5-13(15)20(26)18(22(25)28)19-14(21(27)24-23-19)9-12-7-8-16-17(10-12)30-11-29-16/h3-10,18H,2,11H2,1H3,(H,24,27)/p+1/b14-9-