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

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-4-ium Openeye Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-4-ium CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-4-ium Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-4-ium Formula: C10H19N4O2S+ MolecularWeight: 259.34846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C10H18N4O2S/c1-8-10(9(2)13-12-8)17(15,16)14-6-3-4-11-5-7-14/h11H,3-7H2,1-2H3,(H,12,13)/p+1