2-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfonyl-1,3-benzothiazole CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfonyl-1,3-benzothiazole Traditional Name: 4-mesyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazole Formula: C13H18N3O2S2+ MolecularWeight: 312.43092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=CC=C3S(=O)(=O)C

InChI

InChI=1S/C13H17N3O2S2/c1-15-6-8-16(9-7-15)13-14-12-10(19-13)4-3-5-11(12)20(2,17)18/h3-5H,6-9H2,1-2H3/p+1