N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N5OS+2 MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5OS/c1-23(14-19-22-16-6-2-3-7-17(16)27-19)20(26)15-24-10-12-25(13-11-24)18-8-4-5-9-21-18/h2-9H,10-15H2,1H3/p+2