2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]cyclohexyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]cyclohexyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]cyclohexyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]cyclohexyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]cyclohexyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]cyclohexyl]isoindoline-1,3-quinone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCC(CC3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCC(CC3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H29N3O3/c1-31-23-9-5-4-8-22(23)27-16-14-26(15-17-27)18-10-12-19(13-11-18)28-24(29)20-6-2-3-7-21(20)25(28)30/h2-9,18-19H,10-17H2,1H3/p+1