3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propylammonium Formula: C12H25N5O2S+2 MolecularWeight: 303.4242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CCC[NH3+]

InChI

InChI=1S/C12H23N5O2S/c1-10-12(11(2)15-14-10)20(18,19)17-8-6-16(7-9-17)5-3-4-13/h3-9,13H2,1-2H3,(H,14,15)/p+2