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

Systemtic Name: hexadecyl 2-pyridin-1-ium-1-ylethanoate bromide Openeye Name: hexadecyl 2-pyridin-1-ium-1-ylacetate bromide CAS Name: 2-(1-pyridin-1-iumyl)acetic acid hexadecyl ester bromide IUPAC Name: hexadecyl 2-pyridin-1-ium-1-ylacetate bromide Traditional Name: 2-pyridin-1-ium-1-ylacetic acid cetyl ester bromide Formula: C23H40BrNO2 MolecularWeight: 442.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2.BrH/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