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

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O3/c1-27-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-9H,10-15H2,1H3/p+1