10-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide

Systemtic Name: 10-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide Openeye Name: 10-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide CAS Name: 10-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide IUPAC Name: 10-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide Traditional Name: 10-[2-keto-2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-10-ium-9-carboxylic acid bromide Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C3CCCCC3=C(C4=CC=CC=C42)C(=O)O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C3CCCCC3=C(C4=CC=CC=C42)C(=O)O.[Br-]

InChI

InChI=1S/C23H21NO4.BrH/c1-28-16-12-10-15(11-13-16)21(25)14-24-19-8-4-2-6-17(19)22(23(26)27)18-7-3-5-9-20(18)24;/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3;1H