N-(3-bromanyl-2,6-diethyl-4-methyl-phenyl)-4-chloranyl-5-methoxy-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-bromanyl-2,6-diethyl-4-methyl-phenyl)-4-chloranyl-5-methoxy-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-4-chloro-5-methoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-4-chloro-5-methoxy-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-4-chloro-5-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-4-chloro-5-methoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H24BrClN2O3 MolecularWeight: 455.77316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrClN2O3/c1-7-13-9-10(3)16(21)14(8-2)18(13)23-20(25)15-11(4)24(26)12(5)19(27-6)17(15)22/h9H,7-8H2,1-6H3,(H,23,25)