3-propyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-propyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-propyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-propyl-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-propyl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-propyl-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C14H21N4O3S2+ MolecularWeight: 357.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H20N4O3S2/c1-2-4-12-15-13(21-16-12)11-17-6-8-18(9-7-17)23(19,20)14-5-3-10-22-14/h3,5,10H,2,4,6-9,11H2,1H3/p+1