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

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-[(4-methylphenyl)thio]-1-(4-phenoxyphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-(4-methylphenyl)sulfanyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-phenoxyphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C34H32N3O3S+ MolecularWeight: 562.70118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C34H31N3O3S/c1-25-12-18-30(19-13-25)41-32-31(36-22-20-35(21-23-36)24-26-8-4-2-5-9-26)33(38)37(34(32)39)27-14-16-29(17-15-27)40-28-10-6-3-7-11-28/h2-19H,20-24H2,1H3/p+1