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

Systemtic Name: 1-methyl-2-oxidanyl-3-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[5-(2-thienyl)-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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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=CC=CS4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(C3)C4=CC=CS4)O

InChI

InChI=1S/C17H15N3O2S/c1-20-13-6-3-2-5-10(13)16(21)15(17(20)22)12-9-11(18-19-12)14-7-4-8-23-14/h2-8,11,15,18H,9H2,1H3/p+1