N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylethanoyl)octadecanamide chloride

Systemtic Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylethanoyl)octadecanamide chloride Openeye Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)octadecanamide chloride CAS Name: N-(2-hydroxyethyl)-N-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]octadecanamide chloride IUPAC Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)octadecanamide chloride Traditional Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)stearamide chloride Formula: C27H47ClN2O3 MolecularWeight: 483.12668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H47N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-26(31)29(23-24-30)27(32)25-28-21-18-16-19-22-28;/h16,18-19,21-22,30H,2-15,17,20,23-25H2,1H3;1H/q+1;/p-1