[(3S)-1-methylpiperidin-1-ium-3-yl] 2-iodanylbenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-iodanylbenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H17INO2+ MolecularWeight: 346.18405

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=CC=C2I

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H16INO2/c1-15-8-4-5-10(9-15)17-13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3/p+1/t10-/m0/s1