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

Systemtic Name: 3-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(3-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(3-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-(3-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C28H27ClN3O3+ MolecularWeight: 488.98528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=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/C28H26ClN3O3/c1-35-23-14-8-13-22(19-23)32-27(33)24(29)26(28(32)34)31-17-15-30(16-18-31)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,25H,15-18H2,1H3/p+1