(3S)-1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(4-hydroxy-3-iodo-5-methoxy-benzyl)piperidin-1-ium-3-ol Formula: C13H19INO3+ MolecularWeight: 364.19933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCCC(C2)O)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC[C@@H](C2)O)I)O

InChI

InChI=1S/C13H18INO3/c1-18-12-6-9(5-11(14)13(12)17)7-15-4-2-3-10(16)8-15/h5-6,10,16-17H,2-4,7-8H2,1H3/p+1/t10-/m0/s1