2-(3-methoxypropyl)-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-(3-methoxypropyl)-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H26N4O4/c1-31-14-2-9-27-22(29)19-4-3-18(15-20(19)23(27)30)21(28)26-12-10-25(11-13-26)16-17-5-7-24-8-6-17/h3-8,15H,2,9-14,16H2,1H3/p+1