azanyl-bis(methylsulfanyl)-[4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethyl]phenoxy]carbonyl-azanium hydrochloride

Systemtic Name: azanyl-bis(methylsulfanyl)-[4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethyl]phenoxy]carbonyl-azanium hydrochloride Openeye Name: amino-bis(methylsulfanyl)-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenoxy]carbonyl-ammonium hydrochloride CAS Name: amino-bis(methylthio)-[oxo-[4-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]ethyl]phenoxy]methyl]ammonium hydrochloride IUPAC Name: amino-bis(methylsulfanyl)-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenoxy]carbonylazanium hydrochloride Traditional Name: amino-bis(methylthio)-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenoxy]carbonyl-ammonium hydrochloride Formula: C13H18ClF3N3O3S2+ MolecularWeight: 420.87853

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Descriptors Computed from Structure

Canonical SMILES:

CS[N+](C(=O)OC1=CC=C(C=C1)CCNC(=O)C(F)(F)F)(N)SC.Cl

Isomeric SMILES

CS[N+](C(=O)OC1=CC=C(C=C1)CCNC(=O)C(F)(F)F)(N)SC.Cl

InChI

InChI=1S/C13H16F3N3O3S2.ClH/c1-23-19(17,24-2)12(21)22-10-5-3-9(4-6-10)7-8-18-11(20)13(14,15)16;/h3-6H,7-8,17H2,1-2H3;1H/p+1