2-(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)ethanenitrile

Systemtic Name: 2-(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)ethanenitrile Openeye Name: 2-(4-methyl-3-oxido-quinazolin-3-ium-2-yl)acetonitrile CAS Name: 2-(4-methyl-3-oxido-2-quinazolin-3-iumyl)acetonitrile IUPAC Name: 2-(4-methyl-3-oxidoquinazolin-3-ium-2-yl)acetonitrile Traditional Name: 2-(4-methyl-3-oxido-quinazolin-3-ium-2-yl)acetonitrile Formula: C11H9N3O MolecularWeight: 199.20866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CC#N)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CC#N)[O-]

InChI

InChI=1S/C11H9N3O/c1-8-9-4-2-3-5-10(9)13-11(6-7-12)14(8)15/h2-5H,6H2,1H3