ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(3-methylbutyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(3-methylbutyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-isopentyl-piperidin-1-ium-4-yl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(3-methylbutyl)-4-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(3-methylbutyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1-isoamyl-piperidin-1-ium-4-yl]acetic acid ethyl ester Formula: C20H31FNO4S+ MolecularWeight: 400.527843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC[NH+](CC1)CCC(C)C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CC1(CC[NH+](CC1)CCC(C)C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H30FNO4S/c1-4-26-19(23)15-20(10-13-22(14-11-20)12-9-16(2)3)27(24,25)18-7-5-17(21)6-8-18/h5-8,16H,4,9-15H2,1-3H3/p+1