N-[[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-(2-thiazolylmethyl)-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CS2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CS2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H22N4O2S2/c24-27(25,17-7-1-5-16-6-2-8-21-19(16)17)22-12-15-4-3-10-23(13-15)14-18-20-9-11-26-18/h1-2,5-9,11,15,22H,3-4,10,12-14H2/p+1/t15-/m1/s1