3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-6,7-dimethoxy-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)carbonylthiomorpholin-1-ium-1-yl]-6,7-dimethoxy-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-6,7-dimethoxy-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-thiomorpholin-1-iumyl]-6,7-dimethoxy-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[4-(3,4-dimethoxybenzoyl)thiomorpholin-1-ium-1-yl]-6,7-dimethoxy-1-methyl-4-oxoquinolin-2-olate Traditional Name: 4-keto-6,7-dimethoxy-1-methyl-3-(4-veratroylthiomorpholin-1-ium-1-yl)quinolin-2-olate Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=O)C(=C1[O-])[S+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=O)C(=C1[O-])[S+]3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C25H28N2O7S/c1-26-17-14-21(34-5)20(33-4)13-16(17)22(28)23(25(26)30)35-10-8-27(9-11-35)24(29)15-6-7-18(31-2)19(12-15)32-3/h6-7,12-14H,8-11H2,1-5H3