N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide

Systemtic Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Openeye Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide CAS Name: N-[[(3S)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-8-quinolinesulfonamide IUPAC Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Traditional Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]quinoline-8-sulfonamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H24N4O2S2/c1-15-22-12-18(27-15)14-24-10-4-5-16(13-24)11-23-28(25,26)19-8-2-6-17-7-3-9-21-20(17)19/h2-3,6-9,12,16,23H,4-5,10-11,13-14H2,1H3/p+1/t16-/m1/s1