propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: isopropyl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetic acid isopropyl ester Formula: C15H22FN2O4S+ MolecularWeight: 345.409583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CC(C)OC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C15H21FN2O4S/c1-12(2)22-15(19)11-17-6-8-18(9-7-17)23(20,21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3/p+1