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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCC(CC1)(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)[NH+]1CCC(CC1)(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H30FNO4S/c1-4-17(5-2)22-13-11-20(12-14-22,15-19(23)26-6-3)27(24,25)18-9-7-16(21)8-10-18/h7-10,17H,4-6,11-15H2,1-3H3/p+1