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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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