N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Systemtic Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide CAS Name: N-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]cinchoninamide Formula: C22H28N5OS2+ MolecularWeight: 442.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

InChI

InChI=1S/C22H27N5OS2/c1-15-7-5-11-27(14-15)12-6-10-23-21(28)18-13-20(30-22-26-25-16(2)29-22)24-19-9-4-3-8-17(18)19/h3-4,8-9,13,15H,5-7,10-12,14H2,1-2H3,(H,23,28)/p+1