6-[2-(4-methoxyphenyl)ethynyl]-2-methyl-isoquinolin-2-ium

Systemtic Name: 6-[2-(4-methoxyphenyl)ethynyl]-2-methyl-isoquinolin-2-ium Openeye Name: 6-[2-(4-methoxyphenyl)ethynyl]-2-methyl-isoquinolin-2-ium CAS Name: 6-[2-(4-methoxyphenyl)ethynyl]-2-methylisoquinolin-2-ium IUPAC Name: 6-[2-(4-methoxyphenyl)ethynyl]-2-methylisoquinolin-2-ium Traditional Name: 6-[2-(4-methoxyphenyl)ethynyl]-2-methyl-isoquinolin-2-ium Formula: C19H16NO+ MolecularWeight: 274.33644

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H16NO/c1-20-12-11-17-13-16(5-8-18(17)14-20)4-3-15-6-9-19(21-2)10-7-15/h5-14H,1-2H3/q+1