N-(3-bromanyl-2,6-diethyl-4-methyl-phenyl)-5-[(E)-but-2-enyl]-4-chloranyl-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-bromanyl-2,6-diethyl-4-methyl-phenyl)-5-[(E)-but-2-enyl]-4-chloranyl-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-5-[(E)-but-2-enyl]-4-chloro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-5-[(E)-but-2-enyl]-4-chloro-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-5-[(E)-but-2-enyl]-4-chloro-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-5-[(E)-but-2-enyl]-4-chloro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H28BrClN2O2 MolecularWeight: 479.83762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=CC)Cl)CC)Br)C

Isomeric SMILES

CCC1=CC(=C(C(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)C/C=C/C)Cl)CC)Br)C

InChI

InChI=1S/C23H28BrClN2O2/c1-7-10-11-18-14(5)27(29)15(6)19(21(18)25)23(28)26-22-16(8-2)12-13(4)20(24)17(22)9-3/h7,10,12H,8-9,11H2,1-6H3,(H,26,28)/b10-7+