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

Systemtic Name: N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-4-phenylmethoxy-pyridin-1-ium-3-carboxamide Openeye Name: 4-benzyloxy-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-phenylmethoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-phenylmethoxypyridin-1-ium-3-carboxamide Traditional Name: 4-benzoxy-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC3=CC=CC=C3)C)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC3=CC=CC=C3)C)[O-])C

InChI

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