(6-bromanyl-3-nitro-pyridin-2-yl)-ethanoyl-[(2-pentoxyphenyl)methyl]azanium chloride

Systemtic Name: (6-bromanyl-3-nitro-pyridin-2-yl)-ethanoyl-[(2-pentoxyphenyl)methyl]azanium chloride Openeye Name: acetyl-(6-bromo-3-nitro-2-pyridyl)-[(2-pentoxyphenyl)methyl]ammonium chloride CAS Name: acetyl-(6-bromo-3-nitro-2-pyridinyl)-[(2-pentoxyphenyl)methyl]ammonium chloride IUPAC Name: acetyl-(6-bromo-3-nitropyridin-2-yl)-[(2-pentoxyphenyl)methyl]azanium chloride Traditional Name: acetyl-(2-amoxybenzyl)-(6-bromo-3-nitro-2-pyridyl)ammonium chloride Formula: C19H23BrClN3O4 MolecularWeight: 472.76062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C[NH+](C2=C(C=CC(=N2)Br)[N+](=O)[O-])C(=O)C.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C[NH+](C2=C(C=CC(=N2)Br)[N+](=O)[O-])C(=O)C.[Cl-]

InChI

InChI=1S/C19H22BrN3O4.ClH/c1-3-4-7-12-27-17-9-6-5-8-15(17)13-22(14(2)24)19-16(23(25)26)10-11-18(20)21-19;/h5-6,8-11H,3-4,7,12-13H2,1-2H3;1H