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

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-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=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C)[O-])C

InChI

InChI=1S/C21H27BrN2O3/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/h10-12H,6-9H2,1-5H3,(H,23,25)