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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenylpyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenyl-3-pyrroline-2,5-quinone Formula: C27H25ClN3O2+ MolecularWeight: 458.9593

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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=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O2/c28-23-25(27(33)31(26(23)32)22-14-8-3-9-15-22)30-18-16-29(17-19-30)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,24H,16-19H2/p+1