5-chloranyl-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 5-chloranyl-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 5-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 5-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 5-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 5-chloro-2,2-dimethyl-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C20H25ClINO2 MolecularWeight: 473.77547

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C=CC=C2Cl)C.[I-]

Isomeric SMILES

C[N+]1(CCC2=C(C1CC3=CC(=C(C=C3)OC)OC)C=CC=C2Cl)C.[I-]

InChI

InChI=1S/C20H25ClNO2.HI/c1-22(2)11-10-15-16(6-5-7-17(15)21)18(22)12-14-8-9-19(23-3)20(13-14)24-4;/h5-9,13,18H,10-12H2,1-4H3;1H/q+1;/p-1