N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)-2-methyl-thiazole-4-carboxamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)-2-methyl-4-thiazolecarboxamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)-2-methyl-thiazole-4-carboxamide Formula: C23H25N4O2S2+ MolecularWeight: 453.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N(C)C

Isomeric SMILES

CC1=NC(=CS1)C(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N(C)C

InChI

InChI=1S/C23H24N4O2S2/c1-15-24-21(14-31-15)23(28)27(13-18-6-5-9-29-18)12-17-10-16-7-8-19(30-4)11-20(16)25-22(17)26(2)3/h5-11,14H,12-13H2,1-4H3/p+1