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

Systemtic Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxidanidyl-2-(phenylmethyl)-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-methyl-1-oxido-2-(phenylmethyl)-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,3-dimethylphenyl)-6-methyl-1-oxido-4-propoxy-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)CC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=CC=CC(=C2C)C)CC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C25H28N2O3/c1-5-14-30-23-15-18(3)27(29)22(16-20-11-7-6-8-12-20)24(23)25(28)26-21-13-9-10-17(2)19(21)4/h6-13,15H,5,14,16H2,1-4H3,(H,26,28)