4-[(1R)-6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodanyl-6-methoxy-phenolate

Systemtic Name: 4-[(1R)-6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodanyl-6-methoxy-phenolate Openeye Name: 4-[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodo-6-methoxy-phenolate CAS Name: 4-[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodo-6-methoxyphenolate IUPAC Name: 4-[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodo-6-methoxyphenolate Traditional Name: 4-[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-iodo-6-methoxy-phenolate Formula: C16H16INO4 MolecularWeight: 413.20701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16INO4/c1-22-14-6-9(4-11(17)16(14)21)15-10-7-13(20)12(19)5-8(10)2-3-18-15/h4-7,15,18-21H,2-3H2,1H3/t15-/m1/s1