1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H29FN5O2+ MolecularWeight: 402.485663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)CC3=NC(=NO3)CC4=CC(=CC=C4)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)CC3=NC(=NO3)CC4=CC(=CC=C4)F)C(=O)N

InChI

InChI=1S/C21H28FN5O2/c22-17-6-4-5-16(13-17)14-18-24-19(29-25-18)15-26-11-7-21(8-12-26,20(23)28)27-9-2-1-3-10-27/h4-6,13H,1-3,7-12,14-15H2,(H2,23,28)/p+1