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

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Traditional Name: 2-methyl-5-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C16H23N4O4S+ MolecularWeight: 367.44322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=C(O3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NN=C(O3)C

InChI

InChI=1S/C16H22N4O4S/c1-3-23-14-4-6-15(7-5-14)25(21,22)20-10-8-19(9-11-20)12-16-18-17-13(2)24-16/h4-7H,3,8-12H2,1-2H3/p+1