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

Systemtic Name: 2-(furan-2-ylmethyl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Openeye Name: 2-(2-furylmethyl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride CAS Name: 2-(2-furanylmethyl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride IUPAC Name: 2-(furan-2-ylmethyl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Traditional Name: 2-(2-furfuryl)-6,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-2-ium chloride Formula: C18H24ClNO3 MolecularWeight: 337.84106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C[NH+]1CC3=CC=CO3)OC)OC)C.[Cl-]

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C[NH+]1CC3=CC=CO3)OC)OC)C.[Cl-]

InChI

InChI=1S/C18H23NO3.ClH/c1-18(2)10-13-8-16(20-3)17(21-4)9-14(13)11-19(18)12-15-6-5-7-22-15;/h5-9H,10-12H2,1-4H3;1H