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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4OS/c27-21(23-11-10-18-6-2-1-3-7-18)16-25-12-14-26(15-13-25)17-22-24-19-8-4-5-9-20(19)28-22/h1-9H,10-17H2,(H,23,27)/p+1