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

Systemtic Name: 5-bromanyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=[N+](C(=C1Br)C)[O-])C)C(=O)NC2=C(C=CC=C2CC)CC

Isomeric SMILES

CCCOC1=C(C(=[N+](C(=C1Br)C)[O-])C)C(=O)NC2=C(C=CC=C2CC)CC

InChI

InChI=1S/C21H27BrN2O3/c1-6-12-27-20-17(13(4)24(26)14(5)18(20)22)21(25)23-19-15(7-2)10-9-11-16(19)8-3/h9-11H,6-8,12H2,1-5H3,(H,23,25)