3,5-dimethyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]-1H-pyrazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]-1H-pyrazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]-1H-pyrazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[2-[(2R)-2-piperidin-1-iumyl]ethyl]-1H-pyrazole-4-sulfonamide IUPAC Name: 3,5-dimethyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]-1H-pyrazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]-1H-pyrazole-4-sulfonamide Formula: C12H23N4O2S+ MolecularWeight: 287.40162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NCCC2CCCC[NH2+]2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NCC[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C12H22N4O2S/c1-9-12(10(2)16-15-9)19(17,18)14-8-6-11-5-3-4-7-13-11/h11,13-14H,3-8H2,1-2H3,(H,15,16)/p+1/t11-/m1/s1