(1R)-1-(3-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1R)-1-(3-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1R)-1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1R)-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1R)-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1R)-1-(4-hydroxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-21-15-7-10(2-3-12(15)18)16-11-8-14(20)13(19)6-9(11)4-5-17-16/h2-3,6-8,16-20H,4-5H2,1H3/p+1/t16-/m1/s1