N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-3-fluoranyl-N-(3-methoxypropyl)benzamide

Systemtic Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-3-fluoranyl-N-(3-methoxypropyl)benzamide Openeye Name: N-[[2-(dimethylamino)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-3-fluoro-N-(3-methoxypropyl)benzamide CAS Name: N-[[2-(dimethylamino)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-3-fluoro-N-(3-methoxypropyl)benzamide IUPAC Name: N-[[2-(dimethylamino)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-3-fluoro-N-(3-methoxypropyl)benzamide Traditional Name: N-[[2-(dimethylamino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-3-fluoro-N-(3-methoxypropyl)benzamide Formula: C24H29FN3O2S+ MolecularWeight: 442.569363

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)SC)CN(CCCOC)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C1=C(C=C2C=CC(=CC2=[NH+]1)SC)CN(CCCOC)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H28FN3O2S/c1-27(2)23-19(13-17-9-10-21(31-4)15-22(17)26-23)16-28(11-6-12-30-3)24(29)18-7-5-8-20(25)14-18/h5,7-10,13-15H,6,11-12,16H2,1-4H3/p+1