2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octadecanoate chloride

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octadecanoate chloride Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octadecanoate chloride CAS Name: octadecanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester chloride IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octadecanoate chloride Traditional Name: stearic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester chloride Formula: C27H47ClN2O3 MolecularWeight: 483.12668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29;/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3;1H