3-(4-chlorophenyl)sulfanyl-1-phenethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-phenethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-phenethyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-(4-chlorophenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-[(4-chlorophenyl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C29H29ClN3O2S+ MolecularWeight: 519.07746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN3O2S/c30-24-11-13-25(14-12-24)36-27-26(28(34)33(29(27)35)16-15-22-7-3-1-4-8-22)32-19-17-31(18-20-32)21-23-9-5-2-6-10-23/h1-14H,15-21H2/p+1