3-tert-butyl-5-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazin-1-iumyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(1S)-1-(4-pyrrolidinosulfonylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazole Formula: C16H30N5O3S+ MolecularWeight: 372.5061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)[NH+]2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H29N5O3S/c1-13(14-17-15(18-24-14)16(2,3)4)19-9-11-21(12-10-19)25(22,23)20-7-5-6-8-20/h13H,5-12H2,1-4H3/p+1/t13-/m0/s1