1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C21H33FN3O3S+ MolecularWeight: 426.568423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)[NH+]3CCCCC3

InChI

InChI=1S/C21H32FN3O3S/c1-21(2,24-12-4-3-5-13-24)16-23-20(26)17-10-14-25(15-11-17)29(27,28)19-8-6-18(22)7-9-19/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,26)/p+1