N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylphenyl)-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylphenyl)-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(p-tolyl)pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylphenyl)-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylphenyl)-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-propoxy-2-(p-tolyl)pyridin-1-ium-3-carboxamide Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC(=C2C)C)C3=CC=C(C=C3)C)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC(=C2C)C)C3=CC=C(C=C3)C)[O-])C

InChI

InChI=1S/C25H28N2O3/c1-6-14-30-22-15-18(4)27(29)24(20-12-10-16(2)11-13-20)23(22)25(28)26-21-9-7-8-17(3)19(21)5/h7-13,15H,6,14H2,1-5H3,(H,26,28)