1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile

Systemtic Name: 1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile Openeye Name: 1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile CAS Name: 1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile IUPAC Name: 1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile Traditional Name: 1,6,8-trimethyl-3-phenyl-2H-quinazoline-1,3-diium-1-carbonitrile Formula: C18H19N3+2 MolecularWeight: 277.36356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](C[N+]2(C)C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](C[N+]2(C)C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3/c1-14-9-15(2)18-16(10-14)11-20(13-21(18,3)12-19)17-7-5-4-6-8-17/h4-11H,13H2,1-3H3/q+2