3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-thiomorpholin-1-iumyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 2-hydroxy-1-methyl-3-(4-veratroylthiomorpholin-1-ium-1-yl)-4-quinolone Formula: C23H25N2O5S+ MolecularWeight: 441.52

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)[S+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)[S+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H24N2O5S/c1-24-17-7-5-4-6-16(17)20(26)21(23(24)28)31-12-10-25(11-13-31)22(27)15-8-9-18(29-2)19(14-15)30-3/h4-9,14H,10-13H2,1-3H3/p+1