N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-isopentyloxy-6-methyl-1-oxido-2-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-isoamoxy-6-methyl-1-oxido-2-phenyl-pyridin-1-ium-3-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O3/c1-6-21-14-11-15-22(7-2)26(21)29-28(31)25-24(33-17-16-19(3)4)18-20(5)30(32)27(25)23-12-9-8-10-13-23/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,29,31)