1-[3-(4-chlorophenyl)sulfonyl-6-fluoranyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-(4-chlorophenyl)sulfonyl-6-fluoranyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-quinolin-1-ium-4-yl]isonipecotamide Formula: C21H20ClFN3O3S+ MolecularWeight: 448.918203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C21H19ClFN3O3S/c22-14-1-4-16(5-2-14)30(28,29)19-12-25-18-6-3-15(23)11-17(18)20(19)26-9-7-13(8-10-26)21(24)27/h1-6,11-13H,7-10H2,(H2,24,27)/p+1