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

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

Systemtic Name:2-[4-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione
Openeye Name:2-[4-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione
CAS Name:2-[4-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione
IUPAC Name:2-[4-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione
Traditional Name:2-[4-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone
Formula: C22H27N4O2+
MolecularWeight: 379.47538
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=N4


Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=N4


InChI

InChI=1S/C22H26N4O2/c27-21-19-8-1-2-9-20(19)22(28)26(21)12-6-5-11-24-13-15-25(16-14-24)17-18-7-3-4-10-23-18/h1-4,7-10H,5-6,11-17H2/p+1


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