methyl 2-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]ethanoate chloride

Systemtic Name: methyl 2-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: methyl 2-[1-(2-furylmethyl)piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-(2-furanylmethyl)-1-piperidin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl 2-[1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-(2-furfuryl)piperidin-1-ium-1-yl]acetic acid methyl ester chloride Formula: C13H20ClNO3 MolecularWeight: 273.7558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(CCCCC1)CC2=CC=CO2.[Cl-]

Isomeric SMILES

COC(=O)C[N+]1(CCCCC1)CC2=CC=CO2.[Cl-]

InChI

InChI=1S/C13H20NO3.ClH/c1-16-13(15)11-14(7-3-2-4-8-14)10-12-6-5-9-17-12;/h5-6,9H,2-4,7-8,10-11H2,1H3;1H/q+1;/p-1