4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide

Systemtic Name: 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide Openeye Name: 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide CAS Name: 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide IUPAC Name: 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile iodide Traditional Name: 4-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butyronitrile iodide Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=[N+]1C)CCCC#N)OC)OC)C.[I-]

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=[N+]1C)CCCC#N)OC)OC)C.[I-]

InChI

InChI=1S/C18H25N2O2.HI/c1-18(2)12-13-10-16(21-4)17(22-5)11-14(13)15(20(18)3)8-6-7-9-19;/h10-11H,6-8,12H2,1-5H3;1H/q+1;/p-1