1,6-dimethyl-1-phenyl-3-pyridin-2-yl-2H-quinazoline-1,3-diium

Systemtic Name: 1,6-dimethyl-1-phenyl-3-pyridin-2-yl-2H-quinazoline-1,3-diium Openeye Name: 1,6-dimethyl-1-phenyl-3-(2-pyridyl)-2H-quinazoline-1,3-diium CAS Name: 1,6-dimethyl-1-phenyl-3-(2-pyridinyl)-2H-quinazoline-1,3-diium IUPAC Name: 1,6-dimethyl-1-phenyl-3-pyridin-2-yl-2H-quinazoline-1,3-diium Traditional Name: 1,6-dimethyl-1-phenyl-3-(2-pyridyl)-2H-quinazoline-1,3-diium Formula: C21H21N3+2 MolecularWeight: 315.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC=CC=N3)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC=CC=N3)(C)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3/c1-17-11-12-20-18(14-17)15-23(21-10-6-7-13-22-21)16-24(20,2)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3/q+2