2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(3-methylphenoxy)ethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C18H22NO+ MolecularWeight: 268.37338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H22NO/c1-15-5-4-8-18(13-15)20-12-11-19-10-9-16-6-2-3-7-17(16)14-19/h4-5,8-10,13-14H,2-3,6-7,11-12H2,1H3/q+1