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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H25N5O2S/c1-2-25-10-12-26(13-11-25)18-6-4-3-5-17(18)22-19(27)7-8-20-23-21(24-28-20)16-9-14-29-15-16/h3-6,9,14-15H,2,7-8,10-13H2,1H3,(H,22,27)/p+1