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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(4-iodophenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(4-iodophenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(4-iodophenyl)-3-pyrroline-2,5-quinone Formula: C27H24ClIN3O2+ MolecularWeight: 584.85583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClIN3O2/c28-23-25(27(34)32(26(23)33)22-13-11-21(29)12-14-22)31-17-15-30(16-18-31)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,24H,15-18H2/p+1