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

Systemtic Name: 1-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3-iodo-5-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-hydroxy-3-iodo-5-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C14H20IN2O3+ MolecularWeight: 391.22467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)C(=O)N)I)O

InChI

InChI=1S/C14H19IN2O3/c1-20-12-7-9(6-11(15)13(12)18)8-17-4-2-10(3-5-17)14(16)19/h6-7,10,18H,2-5,8H2,1H3,(H2,16,19)/p+1