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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-1-thiophen-3-yl-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 2-[(4-methoxyphenyl)methyl]-1-(3-thienyl)-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 2-[(4-methoxyphenyl)methyl]-1-(3-thiophenyl)-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 2-[(4-methoxyphenyl)methyl]-1-thiophen-3-yl-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 2-p-anisyl-1-(3-thienyl)-3,4-dihydroisoquinolin-2-ium iodide Formula: C21H20INOS MolecularWeight: 461.35907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NOS.HI/c1-23-19-8-6-16(7-9-19)14-22-12-10-17-4-2-3-5-20(17)21(22)18-11-13-24-15-18;/h2-9,11,13,15H,10,12,14H2,1H3;1H/q+1;/p-1