N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-5-methyl-thiophene-2-carboxamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-5-methyl-thiophene-2-carboxamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-N-(3-methoxypropyl)-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-5-methylthiophene-2-carboxamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-5-methyl-thiophene-2-carboxamide Formula: C23H30N3O2S2+ MolecularWeight: 444.6332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CCCOC)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CCCOC)CC2=C([NH+]=C3C=C(C=CC3=C2)SC)N(C)C

InChI

InChI=1S/C23H29N3O2S2/c1-16-7-10-21(30-16)23(27)26(11-6-12-28-4)15-18-13-17-8-9-19(29-5)14-20(17)24-22(18)25(2)3/h7-10,13-14H,6,11-12,15H2,1-5H3/p+1