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2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindole-1,3-dione

2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindole-1,3-dione

Systemtic Name:2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindole-1,3-dione
Openeye Name:2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindoline-1,3-dione
CAS Name:2-[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]isoindole-1,3-dione
IUPAC Name:2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindole-1,3-dione
Traditional Name:2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]isoindoline-1,3-quinone
Formula: C21H19N4O2+
MolecularWeight: 359.40116
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4C(=O)C5=CC=CC=C5C4=O


Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)N4C(=O)C5=CC=CC=C5C4=O


InChI

InChI=1S/C21H18N4O2/c26-20-14-7-1-2-8-15(14)21(27)25(20)19-16-9-3-4-10-17(16)22-18(23-19)13-24-11-5-6-12-24/h1-4,7-10H,5-6,11-13H2/p+1


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