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

Systemtic Name: N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-N-(2,3-dimethylphenyl)-4-isobutoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxido-2-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-N-(2,3-dimethylphenyl)-6-methyl-4-(2-methylpropoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-N-(2,3-dimethylphenyl)-4-isobutoxy-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C([N+](=C(C=C2OCC(C)C)C)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C26H30N2O3/c1-17(2)16-31-24-14-19(4)28(30)23(15-21-11-7-6-8-12-21)25(24)26(29)27-22-13-9-10-18(3)20(22)5/h6-14,17H,15-16H2,1-5H3,(H,27,29)