4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxy-phenol

Systemtic Name: 4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxy-phenol Openeye Name: 4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxy-phenol CAS Name: 4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxyphenol IUPAC Name: 4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxyphenol Traditional Name: 4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-ethoxy-phenol Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3)O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3)O)OCC)OCC

InChI

InChI=1S/C21H27NO4/c1-4-24-18-12-15(7-8-17(18)23)21-16-13-20(26-6-3)19(25-5-2)11-14(16)9-10-22-21/h7-8,11-13,21-23H,4-6,9-10H2,1-3H3/p+1/t21-/m1/s1