N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC[C@H](C1)CNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H27N3O2S2/c1-25-13-5-12-22-11-4-6-16(15-22)14-21-26(23,24)18-9-2-7-17-8-3-10-20-19(17)18/h2-3,7-10,16,21H,4-6,11-15H2,1H3/p+1/t16-/m0/s1