3-[3-[(4-methoxyphenyl)amino]-3-thiophen-2-yl-propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-[(4-methoxyphenyl)amino]-3-thiophen-2-yl-propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[3-(4-methoxyanilino)-3-(2-thienyl)propanoyl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[3-(4-methoxyanilino)-1-oxo-3-thiophen-2-ylpropyl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[3-(4-methoxyanilino)-3-thiophen-2-ylpropanoyl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[3-(p-anisidino)-3-(2-thienyl)propanoyl]-3H-quinolin-1-ium-4-one Formula: C24H23N2O4S+ MolecularWeight: 435.51542

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CS3)NC4=CC=C(C=C4)OC)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CS3)NC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C24H22N2O4S/c1-26-19-7-4-3-6-17(19)23(28)22(24(26)29)20(27)14-18(21-8-5-13-31-21)25-15-9-11-16(30-2)12-10-15/h3-13,18,22,25H,14H2,1-2H3/p+1