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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(p-tolyl)acetamide Formula: C21H26N4OS+2 MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS/c1-16-6-8-17(9-7-16)22-20(26)14-24-10-12-25(13-11-24)15-21-23-18-4-2-3-5-19(18)27-21/h2-9H,10-15H2,1H3,(H,22,26)/p+2