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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2/c1-20-9-8-14-23(19-20)32-27(33)24(29)26(28(32)34)31-17-15-30(16-18-31)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,25H,15-18H2,1H3/p+1