3-[3-[(5-chloranyl-2-oxidanyl-phenyl)amino]-3-thiophen-2-yl-propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-[(5-chloranyl-2-oxidanyl-phenyl)amino]-3-thiophen-2-yl-propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(5-chloro-2-hydroxy-anilino)-3-(2-thienyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(5-chloro-2-hydroxyanilino)-1-oxo-3-thiophen-2-ylpropyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(5-chloro-2-hydroxyanilino)-3-thiophen-2-ylpropanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(5-chloro-2-hydroxy-anilino)-3-(2-thienyl)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C23H20ClN2O4S+ MolecularWeight: 455.9339

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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=C(C=CC(=C4)Cl)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O4S/c1-26-17-6-3-2-5-14(17)22(29)21(23(26)30)19(28)12-16(20-7-4-10-31-20)25-15-11-13(24)8-9-18(15)27/h2-11,16,21,25,27H,12H2,1H3/p+1