methyl 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]acetic acid methyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

COC(=O)CC1CC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C14H20N2O2/c1-18-14(17)9-12-4-7-16(8-5-12)11-13-3-2-6-15-10-13/h2-3,6,10,12H,4-5,7-9,11H2,1H3/p+1