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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N4OS/c27-22(26-10-9-17-5-1-3-7-19(17)26)16-25-13-11-24(12-14-25)15-21-23-18-6-2-4-8-20(18)28-21/h1-8H,9-16H2/p+1