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

Systemtic Name: 5-bromanyl-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-bromo-N-(2,6-diethylphenyl)-4-isobutoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(2-methylpropoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-bromo-N-(2,6-diethylphenyl)-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=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)Br)OCC(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)Br)OCC(C)C

InChI

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