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

Systemtic Name: 2-(3-chlorophenyl)-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(3-chlorophenyl)-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(3-chlorophenyl)-4-[4-(3-thenyl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C23H21ClN3O2S+ MolecularWeight: 438.94974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=CC=CC4=C3C(=O)N(C4=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H20ClN3O2S/c24-17-3-1-4-18(13-17)27-22(28)19-5-2-6-20(21(19)23(27)29)26-10-8-25(9-11-26)14-16-7-12-30-15-16/h1-7,12-13,15H,8-11,14H2/p+1