2-[methanoyl(pyridin-1-ium-1-ylmethyl)amino]ethyl octadecanoate chloride

Systemtic Name: 2-[methanoyl(pyridin-1-ium-1-ylmethyl)amino]ethyl octadecanoate chloride Openeye Name: 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl octadecanoate chloride CAS Name: octadecanoic acid 2-[formyl(1-pyridin-1-iumylmethyl)amino]ethyl ester chloride IUPAC Name: 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl octadecanoate chloride Traditional Name: stearic acid 2-[formyl(pyridin-1-ium-1-ylmethyl)amino]ethyl ester chloride Formula: C27H47ClN2O3 MolecularWeight: 483.12668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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