N,N-diethyl-4-[[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]diazenyl]aniline bromide

Systemtic Name: N,N-diethyl-4-[[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]diazenyl]aniline bromide Openeye Name: N,N-diethyl-4-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]azo-aniline bromide CAS Name: N,N-diethyl-4-[[1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumyl]azo]aniline bromide IUPAC Name: N,N-diethyl-4-[[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]diazenyl]aniline bromide Traditional Name: diethyl-[4-[1-(4-nitrobenzyl)pyridin-1-ium-4-yl]azophenyl]amine bromide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H24N5O2.BrH/c1-3-26(4-2)21-11-7-19(8-12-21)23-24-20-13-15-25(16-14-20)17-18-5-9-22(10-6-18)27(28)29;/h5-16H,3-4,17H2,1-2H3;1H/q+1;/p-1