2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(2-thenyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C25H23N4O2S2+ MolecularWeight: 475.60572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H22N4O2S2/c30-24-18-6-3-8-20(28-12-10-27(11-13-28)15-17-5-4-14-32-17)23(18)25(31)29(24)16-22-26-19-7-1-2-9-21(19)33-22/h1-9,14H,10-13,15-16H2/p+1