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

Systemtic Name: hexadecyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: hexadecyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid cetyl ester Formula: C23H40NO2+ MolecularWeight: 362.5692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2/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/q+1