2-(2-methyl-4-oxidanylidene-1H-quinazolin-3-ium-3-yl)benzenecarbonitrile hydrochloride

Systemtic Name: 2-(2-methyl-4-oxidanylidene-1H-quinazolin-3-ium-3-yl)benzenecarbonitrile hydrochloride Openeye Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile hydrochloride CAS Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile hydrochloride IUPAC Name: 2-(2-methyl-4-oxo-1H-quinazolin-3-ium-3-yl)benzonitrile hydrochloride Traditional Name: 2-(4-keto-2-methyl-1H-quinazolin-3-ium-3-yl)benzonitrile hydrochloride Formula: C16H13ClN3O+ MolecularWeight: 298.74692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2N1)C3=CC=CC=C3C#N.Cl

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2N1)C3=CC=CC=C3C#N.Cl

InChI

InChI=1S/C16H11N3O.ClH/c1-11-18-14-8-4-3-7-13(14)16(20)19(11)15-9-5-2-6-12(15)10-17;/h2-9H,1H3;1H/p+1