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

Systemtic Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethoxy-phenol Openeye Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethoxy-phenol CAS Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethoxyphenol IUPAC Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethoxyphenol Traditional Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethoxy-phenol Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H25NO4/c1-4-25-17-7-5-6-15(20(17)22)12-21-9-8-14-10-18(23-2)19(24-3)11-16(14)13-21/h5-7,10-11,22H,4,8-9,12-13H2,1-3H3/p+1