(3S)-N,N-diethyl-1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(4-hydroxy-3-iodo-5-methoxy-benzyl)piperidin-1-ium-3-carboxamide Formula: C18H28IN2O3+ MolecularWeight: 447.33099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27IN2O3/c1-4-21(5-2)18(23)14-7-6-8-20(12-14)11-13-9-15(19)17(22)16(10-13)24-3/h9-10,14,22H,4-8,11-12H2,1-3H3/p+1/t14-/m0/s1