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

Systemtic Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethoxy-phenol Openeye Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethoxy-phenol CAS Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethoxyphenol IUPAC Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethoxyphenol Traditional Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethoxy-phenol Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-5-26-16-9-13-7-8-22-20(15(13)12-17(16)27-6-2)14-10-18(24-3)21(23)19(11-14)25-4/h9-12,20,22-23H,5-8H2,1-4H3/p+1/t20-/m0/s1