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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(2-methylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(o-tolyl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[2-(2-methylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(o-tolyl)ethyl]acetamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4OS/c1-18-6-2-3-7-19(18)10-11-24-22(28)16-26-12-14-27(15-13-26)17-23-25-20-8-4-5-9-21(20)29-23/h2-9H,10-17H2,1H3,(H,24,28)/p+1