N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-2,6-dimethyl-4-octoxy-1-oxido-pyridin-1-ium-3-carboxamide Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC(=C2C)C)C)[O-])C

Isomeric SMILES

CCCCCCCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC(=C2C)C)C)[O-])C

InChI

InChI=1S/C24H34N2O3/c1-6-7-8-9-10-11-15-29-22-16-18(3)26(28)20(5)23(22)24(27)25-21-14-12-13-17(2)19(21)4/h12-14,16H,6-11,15H2,1-5H3,(H,25,27)