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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-chloro-pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-chloropyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-chloro-3-pyrroline-2,5-quinone Formula: C28H27ClN3O2+ MolecularWeight: 472.98588

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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)CC5=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)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClN3O2/c29-24-26(28(34)32(27(24)33)20-21-10-4-1-5-11-21)31-18-16-30(17-19-31)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,25H,16-20H2/p+1