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

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methyl-1,4-diazepan-4-ium Formula: C11H21N4O2S+ MolecularWeight: 273.37504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C11H20N4O2S/c1-9-11(10(2)13-12-9)18(16,17)15-6-4-5-14(3)7-8-15/h4-8H2,1-3H3,(H,12,13)/p+1