[3-[(E)-5-iodanyl-1-oxidanyl-pent-4-enyl]-1-methyl-piperidin-4-yl] ethanoate

Systemtic Name: [3-[(E)-5-iodanyl-1-oxidanyl-pent-4-enyl]-1-methyl-piperidin-4-yl] ethanoate Openeye Name: [3-[(E)-1-hydroxy-5-iodanyl-pent-4-enyl]-1-methyl-4-piperidyl] acetate CAS Name: acetic acid [3-[(E)-1-hydroxy-5-iodanylpent-4-enyl]-1-methyl-4-piperidinyl] ester IUPAC Name: [3-[(E)-1-hydroxy-5-iodanylpent-4-enyl]-1-methylpiperidin-4-yl] acetate Traditional Name: acetic acid [3-[(E)-1-hydroxy-5-iodanyl-pent-4-enyl]-1-methyl-4-piperidyl] ester Formula: C13H22INO3 MolecularWeight: 363.224278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCN(CC1C(CCC=CI)O)C

Isomeric SMILES

CC(=O)OC1CCN(CC1C(CC/C=C/[123I])O)C

InChI

InChI=1S/C13H22INO3/c1-10(16)18-13-6-8-15(2)9-11(13)12(17)5-3-4-7-14/h4,7,11-13,17H,3,5-6,8-9H2,1-2H3/b7-4+/i14-4