[(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] carbamimidothioate

Systemtic Name: [(2R)-1,1,1-tris(fluoranyl)-3-piperidin-1-ium-1-yl-propan-2-yl] carbamimidothioate Openeye Name: 2-[(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl]isothiourea CAS Name: carbamimidothioic acid [(2R)-1,1,1-trifluoro-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1,1,1-trifluoro-3-piperidin-1-ium-1-ylpropan-2-yl] carbamimidothioate Traditional Name: 2-[(1R)-2,2,2-trifluoro-1-(piperidin-1-ium-1-ylmethyl)ethyl]isothiourea Formula: C9H17F3N3S+ MolecularWeight: 256.31159

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C(F)(F)F)SC(=N)N

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C(F)(F)F)SC(=N)N

InChI

InChI=1S/C9H16F3N3S/c10-9(11,12)7(16-8(13)14)6-15-4-2-1-3-5-15/h7H,1-6H2,(H3,13,14)/p+1/t7-/m1/s1