2-(3,4-dimethoxyphenyl)ethyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]azanium bromide

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]azanium bromide Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-(4-methoxyphenyl)thiazol-2-yl]ammonium bromide CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-(4-methoxyphenyl)-2-thiazolyl]ammonium bromide IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]azanium bromide Traditional Name: homoveratryl-[4-(4-methoxyphenyl)thiazol-2-yl]ammonium bromide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)[NH2+]CCC3=CC(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)[NH2+]CCC3=CC(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C20H22N2O3S.BrH/c1-23-16-7-5-15(6-8-16)17-13-26-20(22-17)21-11-10-14-4-9-18(24-2)19(12-14)25-3;/h4-9,12-13H,10-11H2,1-3H3,(H,21,22);1H