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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O2/c1-2-21-13-15-24(16-14-21)33-28(34)25(30)27(29(33)35)32-19-17-31(18-20-32)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,26H,2,17-20H2,1H3/p+1