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

Systemtic Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN5O2/c21-16-6-4-5-15(13-16)18-23-17(28-24-18)14-25-11-7-20(8-12-25,19(22)27)26-9-2-1-3-10-26/h4-6,13H,1-3,7-12,14H2,(H2,22,27)/p+1