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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[3-(2-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=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

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