N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propanamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[5-(3-thiophenyl)-1,3,4-oxadiazol-2-yl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]propionamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC2=NN=C(O2)C3=CSC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC2=NN=C(O2)C3=CSC=C3)CC4=CC=CC=C4

InChI

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