pyridin-1-ium-1-ylmethyl (E)-octadec-9-enoate bromide

Systemtic Name: pyridin-1-ium-1-ylmethyl (E)-octadec-9-enoate bromide Openeye Name: pyridin-1-ium-1-ylmethyl (E)-octadec-9-enoate bromide CAS Name: (E)-9-octadecenoic acid 1-pyridin-1-iumylmethyl ester bromide IUPAC Name: pyridin-1-ium-1-ylmethyl (E)-octadec-9-enoate bromide Traditional Name: (E)-octadec-9-enoic acid pyridin-1-ium-1-ylmethyl ester bromide Formula: C24H40BrNO2 MolecularWeight: 454.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC[N+]1=CC=CC=C1.[Br-]

InChI

InChI=1S/C24H40NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(26)27-23-25-21-18-16-19-22-25;/h9-10,16,18-19,21-22H,2-8,11-15,17,20,23H2,1H3;1H/q+1;/p-1/b10-9+;