4-[4-[(2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1-oxidanylcyclohexyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(1-oxidanylcyclohexyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(1-hydroxycyclohexyl)methyl]-4-[4-[(2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(1-hydroxycyclohexyl)methyl]-4-[4-[(2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(1-hydroxycyclohexyl)methyl]-4-[4-[(2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-[(1-hydroxycyclohexyl)methyl]-4-(4-salicylpiperazin-4-ium-1-yl)isoindoline-1,3-quinone Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5O)O

Isomeric SMILES

C1CCC(CC1)(CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5O)O

InChI

InChI=1S/C26H31N3O4/c30-22-10-3-2-7-19(22)17-27-13-15-28(16-14-27)21-9-6-8-20-23(21)25(32)29(24(20)31)18-26(33)11-4-1-5-12-26/h2-3,6-10,30,33H,1,4-5,11-18H2/p+1