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

Systemtic Name: cyclopentyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclopentyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]-4-piperidyl]ammonium CAS Name: cyclopentyl-methyl-[1-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]-4-piperidinyl]ammonium IUPAC Name: cyclopentyl-methyl-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclopentyl-methyl-[1-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]-4-piperidyl]ammonium Formula: C19H27F3N3S+ MolecularWeight: 386.49799

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCC1)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+](C1CCCC1)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H26F3N3S/c1-24(16-7-2-3-8-16)17-9-11-25(12-10-17)18(26)23-15-6-4-5-14(13-15)19(20,21)22/h4-6,13,16-17H,2-3,7-12H2,1H3,(H,23,26)/p+1