5-bromanyl-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-6-methyl-4-oxidanylidene-1-pentyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-bromanyl-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-6-methyl-4-oxidanylidene-1-pentyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-bromo-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-6-methyl-4-oxo-1-pentyl-pyridin-1-ium-3-carboxamide CAS Name: 5-bromo-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-6-methyl-4-oxo-1-pentyl-3-pyridin-1-iumcarboxamide IUPAC Name: 5-bromo-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-6-methyl-4-oxo-1-pentylpyridin-1-ium-3-carboxamide Traditional Name: 1-amyl-5-bromo-N-(2,6-diethylphenyl)-2-ethyl-1-hexyl-4-keto-6-methyl-pyridin-1-ium-3-carboxamide Formula: C30H46BrN2O2+ MolecularWeight: 546.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C(=C(C(=O)C(=C1CC)C(=O)NC2=C(C=CC=C2CC)CC)Br)C)CCCCC

Isomeric SMILES

CCCCCC[N+]1(C(=C(C(=O)C(=C1CC)C(=O)NC2=C(C=CC=C2CC)CC)Br)C)CCCCC

InChI

InChI=1S/C30H45BrN2O2/c1-7-12-14-16-21-33(20-15-13-8-2)22(6)27(31)29(34)26(25(33)11-5)30(35)32-28-23(9-3)18-17-19-24(28)10-4/h17-19H,7-16,20-21H2,1-6H3/p+1