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

Systemtic Name: 3-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Openeye Name: 3-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol CAS Name: 3-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol IUPAC Name: 3-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Traditional Name: 3-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Formula: C19H24NO3+ MolecularWeight: 314.39876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3/c1-3-22-17-11-13-8-9-20-19(14-6-5-7-15(21)10-14)16(13)12-18(17)23-4-2/h5-7,10-12,19-21H,3-4,8-9H2,1-2H3/p+1/t19-/m0/s1