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

Systemtic Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [3,5-dimethyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [3,5-dimethyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-pyrazolyl]methyl-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [3,5-dimethyl-4-(4-methylpiperidino)sulfonyl-pyrazol-1-yl]methyl-(3-fluorobenzyl)-methyl-ammonium Formula: C20H30FN4O2S+ MolecularWeight: 409.541203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+](C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)C[NH+](C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H29FN4O2S/c1-15-8-10-24(11-9-15)28(26,27)20-16(2)22-25(17(20)3)14-23(4)13-18-6-5-7-19(21)12-18/h5-7,12,15H,8-11,13-14H2,1-4H3/p+1