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

Systemtic Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-3-propyl-1,2,4-oxadiazole Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S/c1-3-5-17-19-18(26-20-17)14-21-10-12-22(13-11-21)27(23,24)16-8-6-15(7-9-16)25-4-2/h6-9H,3-5,10-14H2,1-2H3/p+1