3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-isopropylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-(phenylthio)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-p-cumenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C30H32N3O2S+ MolecularWeight: 498.65898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S/c1-22(2)24-13-15-25(16-14-24)33-29(34)27(28(30(33)35)36-26-11-7-4-8-12-26)32-19-17-31(18-20-32)21-23-9-5-3-6-10-23/h3-16,22H,17-21H2,1-2H3/p+1