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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide Formula: C20H23ClN4OS+2 MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c21-15-5-7-16(8-6-15)22-19(26)13-24-9-11-25(12-10-24)14-20-23-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2,(H,22,26)/p+2