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

Systemtic Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methoxy-phenol Openeye Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methoxy-phenol CAS Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methoxyphenol IUPAC Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-methoxyphenol Traditional Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-3-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=C3OC)O)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(C=CC=C3OC)O)OCC

InChI

InChI=1S/C20H25NO4/c1-4-24-17-11-13-9-10-21-20(14(13)12-18(17)25-5-2)19-15(22)7-6-8-16(19)23-3/h6-8,11-12,20-22H,4-5,9-10H2,1-3H3/p+1/t20-/m1/s1