1-methyl-2-oxidanyl-3-(3-phenyl-3-phenylsulfanyl-propanoyl)-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-(3-phenyl-3-phenylsulfanyl-propanoyl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-(3-phenyl-3-phenylsulfanyl-propanoyl)-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[1-oxo-3-phenyl-3-(phenylthio)propyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(3-phenyl-3-phenylsulfanylpropanoyl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[3-phenyl-3-(phenylthio)propanoyl]-3H-quinolin-1-ium-4-one Formula: C25H22NO3S+ MolecularWeight: 416.51208

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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=CC=C3)SC4=CC=CC=C4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CC=C3)SC4=CC=CC=C4)O

InChI

InChI=1S/C25H21NO3S/c1-26-20-15-9-8-14-19(20)24(28)23(25(26)29)21(27)16-22(17-10-4-2-5-11-17)30-18-12-6-3-7-13-18/h2-15,22-23H,16H2,1H3/p+1