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

Systemtic Name: 1-methyl-2-oxidanyl-3-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[5-(2-thienyl)-4,5-dihydroisoxazol-3-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(5-thiophen-2-yl-4,5-dihydroisoxazol-3-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[5-(2-thienyl)-2-isoxazolin-3-yl]-3H-quinolin-1-ium-4-one Formula: C17H15N2O3S+ MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c1-19-12-6-3-2-5-10(12)16(20)15(17(19)21)11-9-13(22-18-11)14-7-4-8-23-14/h2-8,13,15H,9H2,1H3/p+1