N-propyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamide

Systemtic Name: N-propyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamide Openeye Name: N-propyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide CAS Name: N-propyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide IUPAC Name: N-propyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide Traditional Name: N-propyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide Formula: C21H28N6O2S+2 MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCN(CC1=NN=C(O1)C2=CC=CS2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N6O2S/c1-2-9-27(15-19-23-24-21(29-19)17-6-5-14-30-17)20(28)16-25-10-12-26(13-11-25)18-7-3-4-8-22-18/h3-8,14H,2,9-13,15-16H2,1H3/p+2