6-chloranyl-3-(4-chloranylphenyl)-2,4-diphenyl-quinazolin-3-ium chloride

Systemtic Name: 6-chloranyl-3-(4-chloranylphenyl)-2,4-diphenyl-quinazolin-3-ium chloride Openeye Name: 6-chloro-3-(4-chlorophenyl)-2,4-diphenyl-quinazolin-3-ium chloride CAS Name: 6-chloro-3-(4-chlorophenyl)-2,4-diphenylquinazolin-3-ium chloride IUPAC Name: 6-chloro-3-(4-chlorophenyl)-2,4-diphenylquinazolin-3-ium chloride Traditional Name: 6-chloro-3-(4-chlorophenyl)-2,4-diphenyl-quinazolin-3-ium chloride Formula: C26H17Cl3N2 MolecularWeight: 487.696084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C(=N[14C]3=[14C]2[14CH]=[14C]([14CH]=[14CH]3)Cl)C4=CC=CC=C4)[14C]5=[14CH][14CH]=[14C]([14CH]=[14CH]5)Cl.[Cl-]

InChI

InChI=1S/C26H17Cl2N2.ClH/c27-20-11-14-22(15-12-20)30-25(18-7-3-1-4-8-18)23-17-21(28)13-16-24(23)29-26(30)19-9-5-2-6-10-19;/h1-17H;1H/q+1;/p-1/i11+2,12+2,13+2,14+2,15+2,16+2,17+2,20+2,21+2,22+2,23+2,24+2;