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

Systemtic Name: N-(3-bromanyl-2,6-diethyl-4-methyl-phenyl)-4-chloranyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-4-chloro-2,6-dimethyl-1-oxido-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide CAS Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-4-chloro-2,6-dimethyl-1-oxido-5-prop-2-ynyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-bromo-2,6-diethyl-4-methylphenyl)-4-chloro-2,6-dimethyl-1-oxido-5-prop-2-ynylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-bromo-2,6-diethyl-4-methyl-phenyl)-4-chloro-2,6-dimethyl-1-oxido-5-propargyl-pyridin-1-ium-3-carboxamide Formula: C22H24BrClN2O2 MolecularWeight: 463.79516

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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#C)Cl)CC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrClN2O2/c1-7-10-17-13(5)26(28)14(6)18(20(17)24)22(27)25-21-15(8-2)11-12(4)19(23)16(21)9-3/h1,11H,8-10H2,2-6H3,(H,25,27)