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2-Benzyl-4-[1-(N-formyl-N-methylamino)-ethyl]isoquinolinium bromide
SpectraBase Compound ID 7eMIpcT2Y1W
InChI InChI=1S/C20H21N2O.BrH/c1-16(21(2)15-23)20-14-22(12-17-8-4-3-5-9-17)13-18-10-6-7-11-19(18)20;/h3-11,13-16H,12H2,1-2H3;1H/q+1;/p-1
InChIKey PPUAEFNVHRHEJQ-UHFFFAOYSA-M
Mol Weight 385.305 g/mol
Molecular Formula C20H21BrN2O
Exact Mass 384.083726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpkVHbSUHLZ
Name 2-Benzyl-4-[1-(N-formyl-N-methylamino)-ethyl]isoquinolinium bromide
Alternate Name(s) 2-Benzyl-4-(1-(N-methylformamido)ethyl)isoquinolin-2-ium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrN2O
InChI InChI=1S/C20H21N2O.BrH/c1-16(21(2)15-23)20-14-22(12-17-8-4-3-5-9-17)13-18-10-6-7-11-19(18)20;/h3-11,13-16H,12H2,1-2H3;1H/q+1;/p-1
InChIKey PPUAEFNVHRHEJQ-UHFFFAOYSA-M
Literature Reference DOI 10.1002/ardp.19943270704
Molecular Weight 385.305 g/mol
SMILES c1[n+](cc(c2ccccc12)C(C)N(C)C=O)Cc1ccccc1.[Br-]
SPLASH splash10-0006-9310000000-538e930710490f533cc8
Source of Spectrum APC-327-426-43
Wiley ID 1799133