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

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-4-chloranyl-2,6-diethyl-1-oxidanidyl-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-4-chloro-2,6-diethyl-1-oxido-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-4-chloro-2,6-diethyl-1-oxido-5-prop-2-ynyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-4-chloro-2,6-diethyl-1-oxido-5-prop-2-ynylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-4-chloro-2,6-diethyl-1-oxido-5-propargyl-pyridin-1-ium-3-carboxamide Formula: C23H26BrClN2O2 MolecularWeight: 477.82174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2CC)[O-])CC)CC#C)Cl)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2CC)[O-])CC)CC#C)Cl)CC)Br

InChI

InChI=1S/C23H26BrClN2O2/c1-6-11-17-18(9-4)27(29)19(10-5)20(21(17)25)23(28)26-22-14(7-2)12-16(24)13-15(22)8-3/h1,12-13H,7-11H2,2-5H3,(H,26,28)