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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H21N5OS+2 MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H19N5OS/c24-17(21-18-20-14-5-1-2-6-15(14)25-18)13-22-9-11-23(12-10-22)16-7-3-4-8-19-16/h1-8H,9-13H2,(H,20,21,24)/p+2