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

Systemtic Name: 1-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Openeye Name: 1-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide CAS Name: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide IUPAC Name: 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Traditional Name: 1-(2-keto-2-p-phenetyl-ethyl)-2,3-dimethyl-1H-quinazoline-1,3-diium-4-one bromide Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[NH+]2C(=[N+](C(=O)C3=CC=CC=C32)C)C.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[NH+]2C(=[N+](C(=O)C3=CC=CC=C32)C)C.[Br-]

InChI

InChI=1S/C20H21N2O3.BrH/c1-4-25-16-11-9-15(10-12-16)19(23)13-22-14(2)21(3)20(24)17-7-5-6-8-18(17)22;/h5-12H,4,13H2,1-3H3;1H/q+1;