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

Systemtic Name: 1-[6-fluoranyl-3-(phenylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[3-(benzenesulfonyl)-6-fluoro-quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[3-(benzenesulfonyl)-6-fluoro-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(benzenesulfonyl)-6-fluoroquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3-besyl-6-fluoro-quinolin-1-ium-4-yl)isonipecotamide Formula: C21H21FN3O3S+ MolecularWeight: 414.473143

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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=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O3S/c22-15-6-7-18-17(12-15)20(25-10-8-14(9-11-25)21(23)26)19(13-24-18)29(27,28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H2,23,26)/p+1