[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazolin-2-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C18H18Br2N3O+ MolecularWeight: 452.16302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br

InChI

InChI=1S/C18H17Br2N3O/c1-11-5-3-4-6-12(11)9-23(2)10-16-21-17-14(18(24)22-16)7-13(19)8-15(17)20/h3-8H,9-10H2,1-2H3,(H,21,22,24)/p+1