(1S)-6,7-dimethoxy-1-methyl-2-prop-2-ynyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: (1S)-6,7-dimethoxy-1-methyl-2-prop-2-ynyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: (1S)-6,7-dimethoxy-1-methyl-2-prop-2-ynyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: (1S)-6,7-dimethoxy-1-methyl-2-prop-2-ynyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: (1S)-6,7-dimethoxy-1-methyl-2-prop-2-ynyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: (1S)-6,7-dimethoxy-1-methyl-2-propargyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C15H20ClNO2 MolecularWeight: 281.7778

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC#C)OC)OC.[Cl-]

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CC#C)OC)OC.[Cl-]

InChI

InChI=1S/C15H19NO2.ClH/c1-5-7-16-8-6-12-9-14(17-3)15(18-4)10-13(12)11(16)2;/h1,9-11H,6-8H2,2-4H3;1H/t11-;/m0./s1