3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodo-2-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodo-2-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C28H26ClIN3O2+ MolecularWeight: 598.88241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClIN3O2/c1-19-18-22(30)12-13-23(19)33-27(34)24(29)26(28(33)35)32-16-14-31(15-17-32)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3/p+1