3,5-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]-1H-pyrazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]-1H-pyrazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]-1H-pyrazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[[(3S)-3-piperidin-1-iumyl]methyl]-1H-pyrazole-4-sulfonamide IUPAC Name: 3,5-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]-1H-pyrazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]-1H-pyrazole-4-sulfonamide Formula: C11H21N4O2S+ MolecularWeight: 273.37504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NCC2CCC[NH2+]C2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NC[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C11H20N4O2S/c1-8-11(9(2)15-14-8)18(16,17)13-7-10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3,(H,14,15)/p+1/t10-/m0/s1