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

Systemtic Name: 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-methyl-5-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C17H24N4O3S/c1-13(2)15-4-6-16(7-5-15)25(22,23)21-10-8-20(9-11-21)12-17-19-18-14(3)24-17/h4-7,13H,8-12H2,1-3H3/p+1