hexadecyl 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: hexadecyl 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: hexadecyl 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid hexadecyl ester chloride IUPAC Name: hexadecyl 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid cetyl ester chloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-26-23(25)22-24-19-16-15-17-20-24;/h15-17,19-20H,2-14,18,21-22H2,1H3;1H/q+1;/p-1