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

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

Click to see the large picture

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/c1-4-24-18-10-13-8-9-21-20(15(13)12-19(18)25-5-2)16-11-14(23-3)6-7-17(16)22/h6-7,10-12,20-22H,4-5,8-9H2,1-3H3/p+1/t20-/m1/s1