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

Systemtic Name: 5-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole Openeye Name: 5-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole CAS Name: 5-[(1S)-1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-3-ethyl-1,2,4-oxadiazole IUPAC Name: 5-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole Traditional Name: 5-[(1S)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-6-18-21-19(27-22-18)15(2)23-11-13-24(14-12-23)28(25,26)17-9-7-16(8-10-17)20(3,4)5/h7-10,15H,6,11-14H2,1-5H3/p+1/t15-/m0/s1