13-[(E)-Hydroxyimino]-2,3,4,5,6,7,8,13-octahydro-4a-aza-1-azoniadibenzo[a,d]cyclononene trifluoromethanesulfonate

SpectraBase Compound ID	7R0uLAiNDgN
InChI	InChI=1S/C15H19N3O.CHF3O3S/c19-17-14-13-8-2-1-6-12(13)7-3-4-10-18-11-5-9-16-15(14)18;2-1(3,4)8(5,6)7/h1-2,6,8,19H,3-5,7,9-11H2;(H,5,6,7)/b17-14+;
InChIKey	QPNBJUZTTWMEFF-KLSJZZFUSA-N Google Search
Mol Weight	407.41 g/mol
Molecular Formula	C16H20F3N3O4S
Exact Mass	407.112662 g/mol

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SpectraBase Spectrum ID	Lf96RqxeUuc
Name	13-[(E)-Hydroxyimino]-2,3,4,5,6,7,8,13-octahydro-4a-aza-1-azoniadibenzo[a,d]cyclononene trifluoromethanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H20F3N3O4S
InChI	InChI=1S/C15H19N3O.CHF3O3S/c19-17-14-13-8-2-1-6-12(13)7-3-4-10-18-11-5-9-16-15(14)18;2-1(3,4)8(5,6)7/h1-2,6,8,19H,3-5,7,9-11H2;(H,5,6,7)/b17-14+;
InChIKey	QPNBJUZTTWMEFF-KLSJZZFUSA-N
Molecular Weight	407.408 g/mol
SMILES	C(S(=O)(=O)[O-])(F)(F)F.O\N=C\1c2c(CCCCN3C1=[NH+]CCC3)cccc2
SPLASH	splash10-00ke-9770000000-b351070a54a51af4de1e
Source of Spectrum	F-63-3327-15
Synonyms	(14E)-14-(hydroxyimino)-2,3,4,6,7,8,9,14-octahydropyrimido[2,1-b][3]benzazonin-1-ium trifluoromethanesulfonate
Wiley ID	1632960