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

Systemtic Name: 3-chloranyl-1-(4-phenoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-phenoxyphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C27H25ClN3O3+ MolecularWeight: 474.9587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O3/c28-24-25(30-17-15-29(16-18-30)19-20-7-3-1-4-8-20)27(33)31(26(24)32)21-11-13-23(14-12-21)34-22-9-5-2-6-10-22/h1-14H,15-19H2/p+1