[(2R,3R,4S)-1-(furan-2-ylmethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] ethanoate

Systemtic Name: [(2R,3R,4S)-1-(furan-2-ylmethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] ethanoate Openeye Name: [(2R,3R,4S)-1-(2-furylmethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] acetate CAS Name: acetic acid [(2R,3R,4S)-1-(2-furanylmethyl)-2,3-dimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2R,3R,4S)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-1-ium-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4S)-1-(2-furfuryl)-2,3-dimethyl-piperidin-1-ium-4-yl] ester Formula: C14H22NO3+ MolecularWeight: 252.32938

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1OC(=O)C)CC2=CC=CO2)C

Isomeric SMILES

C[C@@H]1[C@H]([NH+](CC[C@@H]1OC(=O)C)CC2=CC=CO2)C

InChI

InChI=1S/C14H21NO3/c1-10-11(2)15(9-13-5-4-8-17-13)7-6-14(10)18-12(3)16/h4-5,8,10-11,14H,6-7,9H2,1-3H3/p+1/t10-,11-,14+/m1/s1