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

Systemtic Name: (1S)-1-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Openeye Name: (1S)-1-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol CAS Name: (1S)-1-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol IUPAC Name: (1S)-1-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Traditional Name: (1S)-1-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol Formula: C18H22NO2+ MolecularWeight: 284.37278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C[NH+]2CCC3=CC=CC=C3C2)O

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C[NH+]2CCC3=CC=CC=C3C2)O

InChI

InChI=1S/C18H21NO2/c1-21-17-8-4-7-15(11-17)18(20)13-19-10-9-14-5-2-3-6-16(14)12-19/h2-8,11,18,20H,9-10,12-13H2,1H3/p+1/t18-/m1/s1