4-butoxy-5-chloranyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 4-butoxy-5-chloranyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 4-butoxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 4-butoxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 4-butoxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 4-butoxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H29ClN2O3 MolecularWeight: 404.93026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=[N+](C(=C1Cl)C)[O-])C)C(=O)NC2=C(C=CC=C2CC)CC

Isomeric SMILES

CCCCOC1=C(C(=[N+](C(=C1Cl)C)[O-])C)C(=O)NC2=C(C=CC=C2CC)CC

InChI

InChI=1S/C22H29ClN2O3/c1-6-9-13-28-21-18(14(4)25(27)15(5)19(21)23)22(26)24-20-16(7-2)11-10-12-17(20)8-3/h10-12H,6-9,13H2,1-5H3,(H,24,26)