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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)I)O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)I)O)OC

InChI

InChI=1S/C16H22INO4/c1-3-22-16(20)12-4-6-18(7-5-12)10-11-8-13(17)15(19)14(9-11)21-2/h8-9,12,19H,3-7,10H2,1-2H3/p+1