1-[2-(dihexadecylamino)ethyl]-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde chloride

Systemtic Name: 1-[2-(dihexadecylamino)ethyl]-5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-1-ium-4-carbaldehyde chloride Openeye Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridin-1-ium-4-carbaldehyde chloride CAS Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridin-1-iumcarboxaldehyde chloride IUPAC Name: 1-[2-(dihexadecylamino)ethyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-carbaldehyde chloride Traditional Name: 1-[2-(dicetylamino)ethyl]-3-hydroxy-2-methyl-5-methylol-pyridin-1-ium-4-carbaldehyde chloride Formula: C42H79ClN2O3 MolecularWeight: 695.54126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CC[N+]1=C(C(=C(C(=C1)CO)C=O)O)C.[Cl-]

InChI

InChI=1S/C42H78N2O3.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-43(34-35-44-36-40(37-45)41(38-46)42(47)39(44)3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h36,38,45H,4-35,37H2,1-3H3;1H