trimethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-piperazin-1-yl-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: trimethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-piperazin-1-yl-hexyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(4S)-4-(tert-butoxycarbonylamino)-6-oxo-6-piperazin-1-yl-hexyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetate; trimethyl-[(4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-(1-piperazinyl)hexyl]ammonium IUPAC Name: 2,2,2-trifluoroacetate; trimethyl-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-piperazin-1-ylhexyl]azanium Traditional Name: [(4S)-4-(tert-butoxycarbonylamino)-6-keto-6-piperazino-hexyl]-trimethyl-ammonium; 2,2,2-trifluoroacetate Formula: C20H37F3N4O5 MolecularWeight: 470.52679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC[N+](C)(C)C)CC(=O)N1CCNCC1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC[N+](C)(C)C)CC(=O)N1CCNCC1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C18H36N4O3.C2HF3O2/c1-18(2,3)25-17(24)20-15(8-7-13-22(4,5)6)14-16(23)21-11-9-19-10-12-21;3-2(4,5)1(6)7/h15,19H,7-14H2,1-6H3;(H,6,7)/t15-;/m0./s1