6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride Openeye Name: 1-allyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride CAS Name: 6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride Traditional Name: 1-allyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride hydrochloride Formula: C16H25Cl2NO2 MolecularWeight: 334.2812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO2.2ClH/c1-6-7-13-12-9-15(19-5)14(18-4)8-11(12)10-16(2,3)17-13;;/h6,8-9,13,17H,1,7,10H2,2-5H3;2*1H