6,7-dimethoxy-2,2-dimethyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 6,7-dimethoxy-2,2-dimethyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 1-isobutyl-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 6,7-dimethoxy-2,2-dimethyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 6,7-dimethoxy-2,2-dimethyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 1-isobutyl-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C17H28INO2 MolecularWeight: 405.31419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC(=C(C=C2CC[N+]1(C)C)OC)OC.[I-]

Isomeric SMILES

CC(C)CC1C2=CC(=C(C=C2CC[N+]1(C)C)OC)OC.[I-]

InChI

InChI=1S/C17H28NO2.HI/c1-12(2)9-15-14-11-17(20-6)16(19-5)10-13(14)7-8-18(15,3)4;/h10-12,15H,7-9H2,1-6H3;1H/q+1;/p-1