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

Systemtic Name: cyclohexyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclohexyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]-4-piperidyl]ammonium CAS Name: cyclohexyl-methyl-[1-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-4-piperidinyl]ammonium IUPAC Name: cyclohexyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclohexyl-methyl-[1-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C20H29F3N3S+ MolecularWeight: 400.52457

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+](C1CCCCC1)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H28F3N3S/c1-25(17-8-3-2-4-9-17)18-10-12-26(13-11-18)19(27)24-16-7-5-6-15(14-16)20(21,22)23/h5-7,14,17-18H,2-4,8-13H2,1H3,(H,24,27)/p+1