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

Systemtic Name: 2-[4-oxidanylidene-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-(1-pyrrolidin-1-iumylmethyl)-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetonitrile Formula: C15H17N4O+ MolecularWeight: 269.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C15H16N4O/c16-7-10-19-14(11-18-8-3-4-9-18)17-13-6-2-1-5-12(13)15(19)20/h1-2,5-6H,3-4,8-11H2/p+1