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

Systemtic Name: 2-prop-2-enyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 2-prop-2-enyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H22N4O3/c1-2-9-26-21(28)18-4-3-17(14-19(18)22(26)29)20(27)25-12-10-24(11-13-25)15-16-5-7-23-8-6-16/h2-8,14H,1,9-13,15H2/p+1