2-butyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-butyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H24N4O3/c1-2-3-10-26-21(28)17-8-7-16(15-18(17)22(26)29)20(27)25-13-11-24(12-14-25)19-6-4-5-9-23-19/h4-9,15H,2-3,10-14H2,1H3/p+1