3,5-dimethyl-N-(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethyl)-1H-pyrazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-(2-oxidanylidene-2-piperazin-4-ium-1-yl-ethyl)-1H-pyrazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-(2-oxo-2-piperazin-4-ium-1-yl-ethyl)-1H-pyrazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[2-oxo-2-(1-piperazin-4-iumyl)ethyl]-1H-pyrazole-4-sulfonamide IUPAC Name: 3,5-dimethyl-N-(2-oxo-2-piperazin-4-ium-1-ylethyl)-1H-pyrazole-4-sulfonamide Traditional Name: N-(2-keto-2-piperazin-4-ium-1-yl-ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide Formula: C11H20N5O3S+ MolecularWeight: 302.3732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H19N5O3S/c1-8-11(9(2)15-14-8)20(18,19)13-7-10(17)16-5-3-12-4-6-16/h12-13H,3-7H2,1-2H3,(H,14,15)/p+1