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

Systemtic Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxidanidyl-2-propyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-4-isopentyloxy-6-methyl-1-oxido-2-propyl-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-propyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-6-methyl-4-(3-methylbutoxy)-1-oxido-2-propylpyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-4-isoamoxy-6-methyl-1-oxido-2-propyl-pyridin-1-ium-3-carboxamide Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=[N+]1[O-])C)OCCC(C)C)C(=O)NC2=C(C=CC=C2CC)CC

Isomeric SMILES

CCCC1=C(C(=CC(=[N+]1[O-])C)OCCC(C)C)C(=O)NC2=C(C=CC=C2CC)CC

InChI

InChI=1S/C25H36N2O3/c1-7-11-21-23(22(16-18(6)27(21)29)30-15-14-17(4)5)25(28)26-24-19(8-2)12-10-13-20(24)9-3/h10,12-13,16-17H,7-9,11,14-15H2,1-6H3,(H,26,28)