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

Systemtic Name: 4-bromanyl-N-(2,6-diethylphenyl)-5-ethoxy-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 4-bromo-N-(2,6-diethylphenyl)-5-ethoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 4-bromo-N-(2,6-diethylphenyl)-5-ethoxy-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 4-bromo-N-(2,6-diethylphenyl)-5-ethoxy-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 4-bromo-N-(2,6-diethylphenyl)-5-ethoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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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)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3/c1-6-14-10-9-11-15(7-2)18(14)22-20(24)16-12(4)23(25)13(5)19(17(16)21)26-8-3/h9-11H,6-8H2,1-5H3,(H,22,24)