5-chloranyl-2-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 5-chloranyl-2-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]isoindole-1,3-dione Openeye Name: 5-chloro-2-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]isoindoline-1,3-dione CAS Name: 5-chloro-2-[4-[1-(2-methoxyphenyl)-1-piperazin-1-iumyl]but-2-ynyl]isoindole-1,3-dione IUPAC Name: 5-chloro-2-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]isoindole-1,3-dione Traditional Name: 5-chloro-2-[4-[1-(2-methoxyphenyl)piperazin-1-ium-1-yl]but-2-ynyl]isoindoline-1,3-quinone Formula: C23H23ClN3O3+ MolecularWeight: 424.90002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3C(=O)C4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCNCC2)CC#CCN3C(=O)C4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN3O3/c1-30-21-7-3-2-6-20(21)27(14-10-25-11-15-27)13-5-4-12-26-22(28)18-9-8-17(24)16-19(18)23(26)29/h2-3,6-9,16,25H,10-15H2,1H3/q+1