1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide

Systemtic Name: 1-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 1-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 1-[2-(3,4-dichlorophenyl)-2-keto-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C18H16BrCl2N2O2+ MolecularWeight: 443.14184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC(=C(C=C3)Cl)Cl)C.[Br-]

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)C3=CC(=C(C=C3)Cl)Cl)C.[Br-]

InChI

InChI=1S/C18H15Cl2N2O2.BrH/c1-11-21(2)18(24)13-5-3-4-6-16(13)22(11)10-17(23)12-7-8-14(19)15(20)9-12;/h3-9H,10H2,1-2H3;1H/q+1;