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

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-2-(3-thenyl)isoindoline-1,3-quinone Formula: C24H23ClN3O2S+ MolecularWeight: 452.97632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

InChI=1S/C24H22ClN3O2S/c25-19-6-4-17(5-7-19)14-26-9-11-27(12-10-26)21-3-1-2-20-22(21)24(30)28(23(20)29)15-18-8-13-31-16-18/h1-8,13,16H,9-12,14-15H2/p+1