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

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-cyclohexyl-pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-cyclohexylpyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-4-chloro-1-cyclohexyl-3-pyrroline-2,5-quinone Formula: C27H31ClN3O2+ MolecularWeight: 465.00694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30ClN3O2/c28-23-25(27(33)31(26(23)32)22-14-8-3-9-15-22)30-18-16-29(17-19-30)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22,24H,3,8-9,14-19H2/p+1