1-butyl-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxidanylidene-pyridin-1-ium-3-carboxamide

Systemtic Name: 1-butyl-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxidanylidene-pyridin-1-ium-3-carboxamide Openeye Name: 1-butyl-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxo-pyridin-1-ium-3-carboxamide CAS Name: 1-butyl-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxo-3-pyridin-1-iumcarboxamide IUPAC Name: 1-butyl-N-(2,6-diethylphenyl)-1,6-dimethyl-4-oxopyridin-1-ium-3-carboxamide Traditional Name: 1-butyl-N-(2,6-diethylphenyl)-4-keto-1,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C(=O)C=C1C)C(=O)NC2=C(C=CC=C2CC)CC)C

Isomeric SMILES

CCCC[N+]1(C=C(C(=O)C=C1C)C(=O)NC2=C(C=CC=C2CC)CC)C

InChI

InChI=1S/C22H30N2O2/c1-6-9-13-24(5)15-19(20(25)14-16(24)4)22(26)23-21-17(7-2)11-10-12-18(21)8-3/h10-12,14-15H,6-9,13H2,1-5H3/p+1