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

Systemtic Name: 4-butoxy-N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-2-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-benzyl-4-butoxy-N-(2,6-diethylphenyl)-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 4-butoxy-N-(2,6-diethylphenyl)-6-methyl-1-oxido-2-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-benzyl-4-butoxy-N-(2,6-diethylphenyl)-6-methyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 2-benzyl-4-butoxy-N-(2,6-diethylphenyl)-6-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)CC3=CC=CC=C3)[O-])C

Isomeric SMILES

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)CC3=CC=CC=C3)[O-])C

InChI

InChI=1S/C28H34N2O3/c1-5-8-17-33-25-18-20(4)30(32)24(19-21-13-10-9-11-14-21)26(25)28(31)29-27-22(6-2)15-12-16-23(27)7-3/h9-16,18H,5-8,17,19H2,1-4H3,(H,29,31)