2-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]ethyl-methyl-azanium

Systemtic Name: 2-[3,5-dimethyl-1-(phenylsulfonyl)pyrazol-4-yl]ethyl-methyl-azanium Openeye Name: 2-[1-(benzenesulfonyl)-3,5-dimethyl-pyrazol-4-yl]ethyl-methyl-ammonium CAS Name: 2-[1-(benzenesulfonyl)-3,5-dimethyl-4-pyrazolyl]ethyl-methylammonium IUPAC Name: 2-[1-(benzenesulfonyl)-3,5-dimethylpyrazol-4-yl]ethyl-methylazanium Traditional Name: 2-(1-besyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-ammonium Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)CC[NH2+]C

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)CC[NH2+]C

InChI

InChI=1S/C14H19N3O2S/c1-11-14(9-10-15-3)12(2)17(16-11)20(18,19)13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3/p+1