1-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 1-(2-furyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-(2-furanyl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 1-(2-furyl)-2-p-anisyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H20INO2 MolecularWeight: 445.29347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3CC2)C4=CC=CO4.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=C(C3=CC=CC=C3CC2)C4=CC=CO4.[I-]

InChI

InChI=1S/C21H20NO2.HI/c1-23-18-10-8-16(9-11-18)15-22-13-12-17-5-2-3-6-19(17)21(22)20-7-4-14-24-20;/h2-11,14H,12-13,15H2,1H3;1H/q+1;/p-1