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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1O)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

InChI

InChI=1S/C18H21NO4/c1-21-14-6-4-5-12(18(14)20)17-13-10-16(23-3)15(22-2)9-11(13)7-8-19-17/h4-6,9-10,17,19-20H,7-8H2,1-3H3/p+1/t17-/m1/s1