6-isocyano-1,1,8-trimethyl-3-(2-methylphenyl)-2H-quinazoline-1,3-diium

Systemtic Name: 6-isocyano-1,1,8-trimethyl-3-(2-methylphenyl)-2H-quinazoline-1,3-diium Openeye Name: 6-isocyano-1,1,8-trimethyl-3-(o-tolyl)-2H-quinazoline-1,3-diium CAS Name: 6-isocyano-1,1,8-trimethyl-3-(2-methylphenyl)-2H-quinazoline-1,3-diium IUPAC Name: 6-isocyano-1,1,8-trimethyl-3-(2-methylphenyl)-2H-quinazoline-1,3-diium Traditional Name: 6-isocyano-1,1,8-trimethyl-3-(o-tolyl)-2H-quinazoline-1,3-diium Formula: C19H21N3+2 MolecularWeight: 291.39014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=CC3=CC(=CC(=C3[N+](C2)(C)C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=CC=C1[N+]2=CC3=CC(=CC(=C3[N+](C2)(C)C)C)[N+]#[C-]

InChI

InChI=1S/C19H21N3/c1-14-8-6-7-9-18(14)21-12-16-11-17(20-3)10-15(2)19(16)22(4,5)13-21/h6-12H,13H2,1-2,4-5H3/q+2