2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxy-phenol

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxy-phenol Openeye Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxy-phenol CAS Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxyphenol IUPAC Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxyphenol Traditional Name: 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methoxy-phenol Formula: C18H22NO4+ MolecularWeight: 316.37158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C18H21NO4/c1-21-12-4-5-13(15(20)9-12)18-14-10-17(23-3)16(22-2)8-11(14)6-7-19-18/h4-5,8-10,18-20H,6-7H2,1-3H3/p+1/t18-/m1/s1