(1S)-1-(3-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol

Systemtic Name: (1S)-1-(3-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Openeye Name: (1S)-1-(3-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol CAS Name: (1S)-1-(3-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol IUPAC Name: (1S)-1-(3-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Traditional Name: (1S)-1-m-phenetyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Formula: C19H24NO2+ MolecularWeight: 298.39936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2/c1-2-22-18-9-5-8-16(12-18)19(21)14-20-11-10-15-6-3-4-7-17(15)13-20/h3-9,12,19,21H,2,10-11,13-14H2,1H3/p+1/t19-/m1/s1