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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C20H26N4OS2+2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C20H24N4OS2/c25-19(21-8-7-16-4-3-13-26-16)14-23-9-11-24(12-10-23)15-20-22-17-5-1-2-6-18(17)27-20/h1-6,13H,7-12,14-15H2,(H,21,25)/p+2