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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(3-nitrophenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(3-nitrophenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-nitrophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-nitrophenyl)-3-pyrroline-2,5-quinone Formula: C27H24ClN4O4+ MolecularWeight: 503.95686

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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)[N+](=O)[O-])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)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H23ClN4O4/c28-23-25(27(34)31(26(23)33)21-12-7-13-22(18-21)32(35)36)30-16-14-29(15-17-30)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24H,14-17H2/p+1