(1S)-6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: (1S)-6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium Openeye Name: (1S)-1-allyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium CAS Name: (1S)-6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: (1S)-6,7-dimethoxy-3,3-dimethyl-1-prop-2-enyl-2,4-dihydro-1H-isoquinolin-2-ium Traditional Name: (1S)-1-allyl-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC2=CC(=C(C=C2[C@@H]([NH2+]1)CC=C)OC)OC)C

InChI

InChI=1S/C16H23NO2/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/p+1/t13-/m0/s1