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

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfonyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]acetic acid ethyl ester Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CC[NH+](CC1)CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC1(CC[NH+](CC1)CC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-2-28-20(25)15-21(29(26,27)19-5-3-18(22)4-6-19)9-13-24(14-10-21)16-17-7-11-23-12-8-17/h3-8,11-12H,2,9-10,13-16H2,1H3/p+1