6,7-dimethoxy-3,3-dimethyl-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-2-ium chloride Openeye Name: 1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-3,3-dimethyl-1-(phenylmethyl)-2,4-dihydro-1H-isoquinolin-2-ium chloride IUPAC Name: 1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Traditional Name: 1-benzyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Formula: C20H26ClNO2 MolecularWeight: 347.87894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C([NH2+]1)CC3=CC=CC=C3)OC)OC)C.[Cl-]

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C([NH2+]1)CC3=CC=CC=C3)OC)OC)C.[Cl-]

InChI

InChI=1S/C20H25NO2.ClH/c1-20(2)13-15-11-18(22-3)19(23-4)12-16(15)17(21-20)10-14-8-6-5-7-9-14;/h5-9,11-12,17,21H,10,13H2,1-4H3;1H