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

Systemtic Name: 1-methyl-2-oxidanyl-3-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[2-phenyl-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[1-phenyl-5-(2-thienyl)-2-pyrazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C23H20N3O2S+ MolecularWeight: 402.4888

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=CS4)C5=CC=CC=C5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NN(C(C3)C4=CC=CS4)C5=CC=CC=C5)O

InChI

InChI=1S/C23H19N3O2S/c1-25-18-11-6-5-10-16(18)22(27)21(23(25)28)17-14-19(20-12-7-13-29-20)26(24-17)15-8-3-2-4-9-15/h2-13,19,21H,14H2,1H3/p+1