1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[3-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H31FN3O3S+ MolecularWeight: 412.541843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H30FN3O3S/c21-18-5-7-19(8-6-18)28(26,27)24-15-9-17(10-16-24)20(25)22-11-4-14-23-12-2-1-3-13-23/h5-8,17H,1-4,9-16H2,(H,22,25)/p+1