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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-phenethyl-3-pyrroline-2,5-quinone Formula: C29H29ClN3O2+ MolecularWeight: 487.01246

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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)CCC5=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)CCC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H28ClN3O2/c30-25-27(29(35)33(28(25)34)17-16-22-10-4-1-5-11-22)32-20-18-31(19-21-32)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2/p+1