2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-indan-5-yl-acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N4OS/c28-22(24-19-9-8-17-4-3-5-18(17)14-19)15-26-10-12-27(13-11-26)16-23-25-20-6-1-2-7-21(20)29-23/h1-2,6-9,14H,3-5,10-13,15-16H2,(H,24,28)/p+1