5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol

Systemtic Name: 5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol Openeye Name: 5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenol CAS Name: 5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenol IUPAC Name: 5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenol Traditional Name: 5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-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=CC(=C(C=C3)OC)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-4-24-18-11-13-8-9-21-20(15(13)12-19(18)25-5-2)14-6-7-17(23-3)16(22)10-14/h6-7,10-12,20-22H,4-5,8-9H2,1-3H3/p+1/t20-/m0/s1