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

Systemtic Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethyl-phenol Openeye Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethyl-phenol CAS Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethylphenol IUPAC Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethylphenol Traditional Name: 4-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2,6-dimethyl-phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-5-24-18-11-15-7-8-22-20(17(15)12-19(18)25-6-2)16-9-13(3)21(23)14(4)10-16/h9-12,20,22-23H,5-8H2,1-4H3/p+1/t20-/m0/s1