(2R)-1-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]pipecolinamide Formula: C18H26FN4O4S+ MolecularWeight: 413.486843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN4O4S/c19-14-4-6-15(7-5-14)28(26,27)22-11-9-21(10-12-22)13-17(24)23-8-2-1-3-16(23)18(20)25/h4-7,16H,1-3,8-13H2,(H2,20,25)/p+1/t16-/m1/s1