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2-[4-oxidanylidene-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanenitrile chloride

2-[4-oxidanylidene-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanenitrile chloride

Systemtic Name:2-[4-oxidanylidene-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanenitrile chloride
Openeye Name:2-[4-oxo-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile chloride
CAS Name:2-[4-oxo-2-(1-pyridin-1-iumylmethyl)-3-quinazolinyl]acetonitrile chloride
IUPAC Name:2-[4-oxo-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile chloride
Traditional Name:2-[4-keto-2-(pyridin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile chloride
Formula: C16H13ClN4O
MolecularWeight: 312.75362
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N.[Cl-]


Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N.[Cl-]


InChI

InChI=1S/C16H13N4O.ClH/c17-8-11-20-15(12-19-9-4-1-5-10-19)18-14-7-3-2-6-13(14)16(20)21;/h1-7,9-10H,11-12H2;1H/q+1;/p-1


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