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

Systemtic Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-methoxy-phenol Openeye Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-methoxy-phenol CAS Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-methoxyphenol IUPAC Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-methoxyphenol Traditional Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-methoxy-phenol Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-4-24-17-11-13-9-10-21-19(15(13)12-18(17)25-5-2)14-7-6-8-16(23-3)20(14)22/h6-8,11-12,19,21-22H,4-5,9-10H2,1-3H3/p+1/t19-/m0/s1