6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide Openeye Name: 6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide Traditional Name: 6,7-dimethoxy-3,3-dimethyl-1-propyl-4H-isoquinolin-2-ium iodide Formula: C16H24INO2 MolecularWeight: 389.27173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[NH+]C(CC2=CC(=C(C=C21)OC)OC)(C)C.[I-]

Isomeric SMILES

CCCC1=[NH+]C(CC2=CC(=C(C=C21)OC)OC)(C)C.[I-]

InChI

InChI=1S/C16H23NO2.HI/c1-6-7-13-12-9-15(19-5)14(18-4)8-11(12)10-16(2,3)17-13;/h8-9H,6-7,10H2,1-5H3;1H