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methyl-(3-methylbutyl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]azanium

methyl-(3-methylbutyl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]azanium

Systemtic Name:methyl-(3-methylbutyl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]azanium
Openeye Name:isopentyl-methyl-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]ammonium
CAS Name:methyl-(3-methylbutyl)-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]ammonium
IUPAC Name:methyl-(3-methylbutyl)-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]azanium
Traditional Name:isoamyl-methyl-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]ammonium
Formula: C18H28F3N2O2S+
MolecularWeight: 393.48733
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F


Isomeric SMILES

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F


InChI

InChI=1S/C18H27F3N2O2S/c1-14(2)7-10-22(3)16-8-11-23(12-9-16)26(24,25)17-6-4-5-15(13-17)18(19,20)21/h4-6,13-14,16H,7-12H2,1-3H3/p+1


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