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

Systemtic Name: 1-(4-ethoxyphenyl)-3-(4-methylphenyl)sulfanyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-ethoxyphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)thio]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-ethoxyphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-p-phenetyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C30H32N3O3S+ MolecularWeight: 514.65838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c1-3-36-25-13-11-24(12-14-25)33-29(34)27(28(30(33)35)37-26-15-9-22(2)10-16-26)32-19-17-31(18-20-32)21-23-7-5-4-6-8-23/h4-16H,3,17-21H2,1-2H3/p+1