(2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Openeye Name: (2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol CAS Name: (2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-propanol IUPAC Name: (2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Traditional Name: (2S)-1-(4-ethoxyphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-2-23-19-7-9-20(10-8-19)24-15-18(22)14-21-12-11-16-5-3-4-6-17(16)13-21/h3-10,18,22H,2,11-15H2,1H3/p+1/t18-/m0/s1