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

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxidanidyl-4-prop-2-enoxy-pyridin-1-ium-3-carboxamide Openeye Name: 4-allyloxy-N-(4-bromo-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-prop-2-enoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-prop-2-enoxypyridin-1-ium-3-carboxamide Traditional Name: 4-allyloxy-N-(4-bromo-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-6-9-27-18-10-13(4)24(26)14(5)19(18)21(25)23-20-15(7-2)11-17(22)12-16(20)8-3/h6,10-12H,1,7-9H2,2-5H3,(H,23,25)