1-dodecyl-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde bromide

Systemtic Name: 1-dodecyl-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde bromide Openeye Name: 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-4-carbaldehyde bromide CAS Name: 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridin-1-iumcarboxaldehyde bromide IUPAC Name: 1-dodecyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde bromide Traditional Name: 3-hydroxy-1-lauryl-2-methyl-5-methylol-pyridin-1-ium-4-carbaldehyde bromide Formula: C20H34BrNO3 MolecularWeight: 416.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Br-]

InChI

InChI=1S/C20H33NO3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-18(15-22)19(16-23)20(24)17(21)2;/h14,16,22H,3-13,15H2,1-2H3;1H