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

Systemtic Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Openeye Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol CAS Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol IUPAC Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Traditional Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]phenol Formula: C17H20NO3+ MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=CC(=CC=C3)O)OC

InChI

InChI=1S/C17H19NO3/c1-20-15-9-11-6-7-18-17(14(11)10-16(15)21-2)12-4-3-5-13(19)8-12/h3-5,8-10,17-19H,6-7H2,1-2H3/p+1/t17-/m0/s1