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

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]acetonitrile Formula: C15H17N4O2+ MolecularWeight: 285.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C15H16N4O2/c16-5-6-19-14(11-18-7-9-21-10-8-18)17-13-4-2-1-3-12(13)15(19)20/h1-4H,6-11H2/p+1