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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C)[O-])C

Isomeric SMILES

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C)[O-])C

InChI

InChI=1S/C22H29BrN2O3/c1-6-9-10-28-19-11-14(4)25(27)15(5)20(19)22(26)24-21-16(7-2)12-18(23)13-17(21)8-3/h11-13H,6-10H2,1-5H3,(H,24,26)