2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-chloro-3-pyridyl)acetamide Formula: C19H22ClN5OS+2 MolecularWeight: 403.92888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C19H20ClN5OS/c20-19-15(5-3-7-21-19)22-17(26)12-24-8-10-25(11-9-24)13-18-23-14-4-1-2-6-16(14)27-18/h1-7H,8-13H2,(H,22,26)/p+2