N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1,3-benzothiazole-5-carboxamide Openeye Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1,3-benzothiazole-5-carboxamide CAS Name: N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1,3-benzothiazole-5-carboxamide Traditional Name: N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-1,3-benzothiazole-5-carboxamide Formula: C19H23N5OS+2 MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C19H21N5OS/c1-23-7-9-24(10-8-23)18-15(3-2-6-20-18)12-21-19(25)14-4-5-17-16(11-14)22-13-26-17/h2-6,11,13H,7-10,12H2,1H3,(H,21,25)/p+2