1-methyl-4-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H27N6O4S+ MolecularWeight: 411.49908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)CC1=NOC(=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H26N6O4S/c1-12(2)8-15-19-16(27-20-15)11-22-4-6-23(7-5-22)28(25,26)13-9-14(17(18)24)21(3)10-13/h9-10,12H,4-8,11H2,1-3H3,(H2,18,24)/p+1