2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c27-20(17-13-23-18-6-2-1-5-16(17)18)14-25-9-11-26(12-10-25)15-22-24-19-7-3-4-8-21(19)28-22/h1-8,13,23H,9-12,14-15H2/p+1