1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-quinazolin-3-ium-4-one bromide

Systemtic Name: 1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-quinazolin-3-ium-4-one bromide Openeye Name: 1-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-quinazolin-3-ium-4-one bromide CAS Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-4-quinazolin-3-iumone bromide IUPAC Name: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylquinazolin-3-ium-4-one bromide Traditional Name: 1-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-quinazolin-3-ium-4-one bromide Formula: C17H14BrClN2O2 MolecularWeight: 393.66226

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C2C1=O)CC(=O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C17H14ClN2O2.BrH/c1-19-11-20(15-5-3-2-4-14(15)17(19)22)10-16(21)12-6-8-13(18)9-7-12;/h2-9,11H,10H2,1H3;1H/q+1;/p-1