2-[4-oxidanylidene-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1C[NH+](CCC1O)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H18N4O2/c17-7-10-20-15(11-19-8-5-12(21)6-9-19)18-14-4-2-1-3-13(14)16(20)22/h1-4,12,21H,5-6,8-11H2/p+1