(1S)-1-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol

Systemtic Name: (1S)-1-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Openeye Name: (1S)-1-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol CAS Name: (1S)-1-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol IUPAC Name: (1S)-1-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Traditional Name: (1S)-1-(4-hydroxy-3-iodo-5-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol Formula: C16H17INO4+ MolecularWeight: 414.21495

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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/p+1/t15-/m0/s1