2-[(4-{(E)-[(Dimethylammonio)methylene]amino}benzoyl)oxy]-N,N-diethylethanaminium dichloride

ChemSpider ID: 16229
Molecular Formula: C₁₆H₂₇Cl₂N₃O₂
Monoisotopic mass: 363.148041 Da
Systematic name

2-[(4-{(E)-[(Dimethylammonio)methylene]amino}benzoyl)oxy]-N,N-diethylethanaminium dichloride
SMILES and InChIs

SMILES:

[Cl-].[Cl-].O=C(OCC[NH+](CC)CC)c1ccc(/N=C/[NH+](C)C)cc1 Copied

Std. InChI:

InChI=1S/C16H25N3O2.2ClH/c1-5-19(6-2)11-12-21-16(20)14-7-9-15(10-8-14)17-13-18(3)4;;/h7-10,13H,5-6,11-12H2,1-4H3;2*1H/b17-13+;; Copied

Std. InChIKey:

YNECUNMGIOXHCS-ZEIDDFDZSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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