butan-2-yl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: butan-2-yl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Openeye Name: methyl-sec-butyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]-4-piperidyl]ammonium CAS Name: butan-2-yl-methyl-[1-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-4-piperidinyl]ammonium IUPAC Name: butan-2-yl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Traditional Name: methyl-sec-butyl-[1-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C18H27F3N3S+ MolecularWeight: 374.48729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](C)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCC(C)[NH+](C)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H26F3N3S/c1-4-13(2)23(3)16-8-10-24(11-9-16)17(25)22-15-7-5-6-14(12-15)18(19,20)21/h5-7,12-13,16H,4,8-11H2,1-3H3,(H,22,25)/p+1