2-isoquinolin-2-ium-2-yl-1-phenyl-ethanol iodide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanol iodide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanol iodide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-phenylethanol iodide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenylethanol iodide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanol iodide Formula: C17H16INO MolecularWeight: 377.21951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+]2=CC3=CC=CC=C3C=C2)O.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+]2=CC3=CC=CC=C3C=C2)O.[I-]

InChI

InChI=1S/C17H16NO.HI/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18;/h1-12,17,19H,13H2;1H/q+1;/p-1