4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]butanamide IUPAC Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]butyramide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-23(10-7-11-24-27-25(28-31-24)22-8-3-1-4-9-22)26-18-20-12-14-21(15-13-20)19-29-16-5-2-6-17-29/h1,3-4,8-9,12-15H,2,5-7,10-11,16-19H2,(H,26,30)/p+1