octadecyl 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: octadecyl 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: octadecyl 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid octadecyl ester chloride IUPAC Name: octadecyl 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid stearyl ester chloride Formula: C25H44ClNO2 MolecularWeight: 426.07536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25(27)24-26-21-18-17-19-22-26;/h17-19,21-22H,2-16,20,23-24H2,1H3;1H/q+1;/p-1