(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: (3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: (3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C19H28FN4O2S+ MolecularWeight: 395.514623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC(=CC=C2)F)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC(=CC=C2)F)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27FN4O2S/c1-15-19(27(25,26)23-10-5-4-6-11-23)16(2)24(21-15)14-22(3)13-17-8-7-9-18(20)12-17/h7-9,12H,4-6,10-11,13-14H2,1-3H3/p+1