2-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(4-ethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H22NO+ MolecularWeight: 268.37338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21NO/c1-2-20-18-9-7-15(8-10-18)13-19-12-11-16-5-3-4-6-17(16)14-19/h3-10H,2,11-14H2,1H3/p+1