N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4OS/c1-17-7-3-5-9-19(17)26-13-11-25(12-14-26)16-22(27)24(2)15-21-23-18-8-4-6-10-20(18)28-21/h3-10H,11-16H2,1-2H3/p+1