4-(diethoxymethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium bromide

Systemtic Name: 4-(diethoxymethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium bromide Openeye Name: 4-(diethoxymethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium bromide CAS Name: 4-(diethoxymethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium bromide IUPAC Name: 4-(diethoxymethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium bromide Traditional Name: 4-(diethoxymethyl)-1-homoveratryl-pyridin-1-ium bromide Formula: C20H28BrNO4 MolecularWeight: 426.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=[N+](C=C1)CCC2=CC(=C(C=C2)OC)OC)OCC.[Br-]

Isomeric SMILES

CCOC(C1=CC=[N+](C=C1)CCC2=CC(=C(C=C2)OC)OC)OCC.[Br-]

InChI

InChI=1S/C20H28NO4.BrH/c1-5-24-20(25-6-2)17-10-13-21(14-11-17)12-9-16-7-8-18(22-3)19(15-16)23-4;/h7-8,10-11,13-15,20H,5-6,9,12H2,1-4H3;1H/q+1;/p-1