N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H28FN3O3S/c1-2-22-11-9-16(10-12-22)21-19(24)15-7-13-23(14-8-15)27(25,26)18-6-4-3-5-17(18)20/h3-6,15-16H,2,7-14H2,1H3,(H,21,24)/p+1