N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H24N4O2S/c26-19(7-8-20-23-21(24-27-20)18-9-12-28-15-18)22-13-16-5-1-2-6-17(16)14-25-10-3-4-11-25/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13-14H2,(H,22,26)/p+1