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

Systemtic Name: ethyl (3S)-1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-hydroxy-3-iodo-5-methoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H23INO4+ MolecularWeight: 420.26259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C(=C2)I)O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C(=C2)I)O)OC

InChI

InChI=1S/C16H22INO4/c1-3-22-16(20)12-5-4-6-18(10-12)9-11-7-13(17)15(19)14(8-11)21-2/h7-8,12,19H,3-6,9-10H2,1-2H3/p+1/t12-/m0/s1