2-(3-methylisoquinolin-2-ium-2-yl)-1-phenyl-ethanol iodide

Systemtic Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-phenyl-ethanol iodide Openeye Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-phenyl-ethanol iodide CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)-1-phenylethanol iodide IUPAC Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-phenylethanol iodide Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)-1-phenyl-ethanol iodide Formula: C18H18INO MolecularWeight: 391.24609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C18H18NO.HI/c1-14-11-16-9-5-6-10-17(16)12-19(14)13-18(20)15-7-3-2-4-8-15;/h2-12,18,20H,13H2,1H3;1H/q+1;/p-1