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

Systemtic Name: 1-[6-fluoranyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-fluoro-3-(p-tolylsulfonyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-fluoro-3-(4-methylphenyl)sulfonylquinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-fluoro-3-tosyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C22H23FN3O3S+ MolecularWeight: 428.499723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)F

InChI

InChI=1S/C22H22FN3O3S/c1-14-2-5-17(6-3-14)30(28,29)20-13-25-19-7-4-16(23)12-18(19)21(20)26-10-8-15(9-11-26)22(24)27/h2-7,12-13,15H,8-11H2,1H3,(H2,24,27)/p+1