[1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methyl ethanoate iodide

Systemtic Name: [1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methyl ethanoate iodide Openeye Name: (2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-3-yl)methyl acetate iodide CAS Name: acetic acid [1-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinolin-2-ium-3-yl]methyl ester iodide IUPAC Name: (2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-3-yl)methyl acetate iodide Traditional Name: acetic acid (2-benzyl-1-phenyl-3,4-dihydroisoquinolin-2-ium-3-yl)methyl ester iodide Formula: C25H24INO2 MolecularWeight: 497.36803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2=CC=CC=C2C(=[N+]1CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC(=O)OCC1CC2=CC=CC=C2C(=[N+]1CC3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C25H24NO2.HI/c1-19(27)28-18-23-16-22-14-8-9-15-24(22)25(21-12-6-3-7-13-21)26(23)17-20-10-4-2-5-11-20;/h2-15,23H,16-18H2,1H3;1H/q+1;/p-1