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

Systemtic Name: 4-(1-methyl-2H-quinazolin-1-ium-3-yl)benzenecarbonitrile Openeye Name: 4-(1-methyl-2H-quinazolin-1-ium-3-yl)benzonitrile CAS Name: 4-(1-methyl-2H-quinazolin-1-ium-3-yl)benzonitrile IUPAC Name: 4-(1-methyl-2H-quinazolin-1-ium-3-yl)benzonitrile Traditional Name: 4-(1-methyl-2H-quinazolin-1-ium-3-yl)benzonitrile Formula: C16H14N3+ MolecularWeight: 248.30246

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=CN(C1)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[N+]1=C2C=CC=CC2=CN(C1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N3/c1-18-12-19(11-14-4-2-3-5-16(14)18)15-8-6-13(10-17)7-9-15/h2-9,11H,12H2,1H3/q+1