5-[(N,N-Diisopropylcarbamoyl)methyl]phenanthridinium bromide

SpectraBase Compound ID	4BlAjAj3q3M
InChI	InChI=1S/C21H25N2O.BrH/c1-15(2)23(16(3)4)21(24)14-22-13-17-9-5-6-10-18(17)19-11-7-8-12-20(19)22;/h5-13,15-16H,14H2,1-4H3;1H/q+1;/p-1
InChIKey	COOQFLBBJDIKMR-UHFFFAOYSA-M Google Search
Mol Weight	401.35 g/mol
Molecular Formula	C21H25BrN2O
Exact Mass	400.115026 g/mol

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SpectraBase Spectrum ID	Bqys33zQJ4o
Name	5-[(N,N-Diisopropylcarbamoyl)methyl]phenanthridinium bromide
Alternate Name(s)	2-(5-phenanthridin-5-iumyl)-N,N-di(propan-2-yl)acetamide;bromide 2-Phenanthridin-5-ium-5-yl-N,N-di(propan-2-yl)acetamide;bromide 2-Phenanthridin-5-ium-5-yl-N,N-di(propan-2-yl)ethanamide;bromide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H25BrN2O
InChI	InChI=1S/C21H25N2O.BrH/c1-15(2)23(16(3)4)21(24)14-22-13-17-9-5-6-10-18(17)19-11-7-8-12-20(19)22;/h5-13,15-16H,14H2,1-4H3;1H/q+1;/p-1
InChIKey	COOQFLBBJDIKMR-UHFFFAOYSA-M
Molecular Weight	401.348 g/mol
SMILES	[Br-].c12[n+](cc3c(c2cccc1)cccc3)CC(N(C(C)C)C(C)C)=O
SPLASH	splash10-0036-5900000000-2e13c23ce259c27185a1
Source of Spectrum	G-64-2000-2b
Wiley ID	749558