3-ethyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-ethyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-ethyl-5-[(1S)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-ethyl-5-[(1S)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-ethyl-5-[(1S)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-ethyl-5-[(1S)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]-1,2,4-oxadiazole Formula: C15H23N4O3S2+ MolecularWeight: 371.49812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CCC1=NOC(=N1)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C15H22N4O3S2/c1-4-13-16-15(22-17-13)12(3)18-7-9-19(10-8-18)24(20,21)14-6-5-11(2)23-14/h5-6,12H,4,7-10H2,1-3H3/p+1/t12-/m0/s1