N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methylidene]hydroxylamine bromide

Systemtic Name: N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methylidene]hydroxylamine bromide Openeye Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenyl-methanone oxime bromide CAS Name: [1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumyl]-phenylmethanone oxime bromide IUPAC Name: N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-yl]-phenylmethylidene]hydroxylamine bromide Traditional Name: (1-homoveratrylpyridin-1-ium-3-yl)-phenyl-methanone oxime bromide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=NO)C3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=NO)C3=CC=CC=C3)OC.[Br-]

InChI

InChI=1S/C22H22N2O3.BrH/c1-26-20-11-10-17(15-21(20)27-2)12-14-24-13-6-9-19(16-24)22(23-25)18-7-4-3-5-8-18;/h3-11,13,15-16H,12,14H2,1-2H3;1H