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

Systemtic Name: 4-chloranyl-N-(4-chloranyl-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-4-chloro-N-(4-chloro-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 4-chloro-N-(4-chloro-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-5-prop-2-enyl-3-pyridin-1-iumcarboxamide IUPAC Name: 4-chloro-N-(4-chloro-2,6-diethylphenyl)-2,6-dimethyl-1-oxido-5-prop-2-enylpyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-4-chloro-N-(4-chloro-2,6-diethyl-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H24Cl2N2O2 MolecularWeight: 407.33346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O2/c1-6-9-17-12(4)25(27)13(5)18(19(17)23)21(26)24-20-14(7-2)10-16(22)11-15(20)8-3/h6,10-11H,1,7-9H2,2-5H3,(H,24,26)