5-[(E)-Hydroxyimino]-1,2,3,5,10,11-hexahydro-11a-aza-4-azoniadibenzo[a,d]cycloheptene trifluoromethanesulfonate

SpectraBase Compound ID	DdexTpmQ6yG
InChI	InChI=1S/C13H15N3O.CHF3O3S/c17-15-12-11-5-2-1-4-10(11)6-9-16-8-3-7-14-13(12)16;2-1(3,4)8(5,6)7/h1-2,4-5,17H,3,6-9H2;(H,5,6,7)/b15-12+;
InChIKey	UCZOZLFKYBDCPQ-JRUHLWALSA-N Google Search
Mol Weight	379.35 g/mol
Molecular Formula	C14H16F3N3O4S
Exact Mass	379.081362 g/mol

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SpectraBase Spectrum ID	E3QiX3uGVdb
Name	5-[(E)-Hydroxyimino]-1,2,3,5,10,11-hexahydro-11a-aza-4-azoniadibenzo[a,d]cycloheptene trifluoromethanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H16F3N3O4S
InChI	InChI=1S/C13H15N3O.CHF3O3S/c17-15-12-11-5-2-1-4-10(11)6-9-16-8-3-7-14-13(12)16;2-1(3,4)8(5,6)7/h1-2,4-5,17H,3,6-9H2;(H,5,6,7)/b15-12+;
InChIKey	UCZOZLFKYBDCPQ-JRUHLWALSA-N
Molecular Weight	379.354 g/mol
SMILES	C(S(=O)(=O)[O-])(F)(F)F.O\N=C\1c2c(CCN3C1=[NH+]CCC3)cccc2
SPLASH	splash10-03gi-0290000000-96d8305c28bb369d1422
Source of Spectrum	F-63-3326-15
Synonyms	(12E)-12-(hydroxyimino)-2,3,4,6,7,12-hexahydropyrimido[2,1-b][3]benzazepin-1-ium trifluoromethanesulfonate
Wiley ID	1632962