N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-4-isobutoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-4-isobutoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])C)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])C)CC)Br

InChI

InChI=1S/C22H29BrN2O3/c1-7-16-10-18(23)11-17(8-2)21(16)24-22(26)20-15(6)25(27)14(5)9-19(20)28-12-13(3)4/h9-11,13H,7-8,12H2,1-6H3,(H,24,26)