N-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide

Systemtic Name: N-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]methanesulfonamide Openeye Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide CAS Name: N-[6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]methanesulfonamide IUPAC Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Traditional Name: N-[6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide Formula: C18H20N5O3S2+ MolecularWeight: 418.5131

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CS(=O)(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5O3S2/c1-28(25,26)21-18-20-14-6-5-13(12-15(14)27-18)17(24)23-10-8-22(9-11-23)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3,(H,20,21)/p+1