2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium

Systemtic Name: 2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium Openeye Name: 2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium CAS Name: 2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium IUPAC Name: 2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium Traditional Name: 2-[2-(3-methylphenoxy)ethyl]isoquinolin-2-ium Formula: C18H18NO+ MolecularWeight: 264.34162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H18NO/c1-15-5-4-8-18(13-15)20-12-11-19-10-9-16-6-2-3-7-17(16)14-19/h2-10,13-14H,11-12H2,1H3/q+1