2-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide Traditional Name: 2-homoveratryl-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium iodide Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CCC2=CC=CC=C21)CCC3=CC(=C(C=C3)OC)OC)C.[I-]

Isomeric SMILES

C[N+]1(C(CCC2=CC=CC=C21)CCC3=CC(=C(C=C3)OC)OC)C.[I-]

InChI

InChI=1S/C21H28NO2.HI/c1-22(2)18(13-11-17-7-5-6-8-19(17)22)12-9-16-10-14-20(23-3)21(15-16)24-4;/h5-8,10,14-15,18H,9,11-13H2,1-4H3;1H/q+1;/p-1