ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(2-furylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-4-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(2-furfuryl)piperidin-1-ium-4-yl]acetic acid ethyl ester Formula: C20H25FNO5S+ MolecularWeight: 410.479603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC[NH+](CC1)CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC1(CC[NH+](CC1)CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FNO5S/c1-2-26-19(23)14-20(28(24,25)18-7-5-16(21)6-8-18)9-11-22(12-10-20)15-17-4-3-13-27-17/h3-8,13H,2,9-12,14-15H2,1H3/p+1