4-[1-[(E)-octadec-9-enoxy]propan-2-yl]pyridine-3-carboxylate bromide

Systemtic Name: 4-[1-[(E)-octadec-9-enoxy]propan-2-yl]pyridine-3-carboxylate bromide Openeye Name: 4-[1-methyl-2-[(E)-octadec-9-enoxy]ethyl]pyridine-3-carboxylate bromide CAS Name: 4-[1-[(E)-octadec-9-enoxy]propan-2-yl]-3-pyridinecarboxylate bromide IUPAC Name: 4-[1-[(E)-octadec-9-enoxy]propan-2-yl]pyridine-3-carboxylate bromide Traditional Name: 4-[1-methyl-2-[(E)-octadec-9-enoxy]ethyl]nicotinate bromide Formula: C27H44BrNO3-2 MolecularWeight: 510.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(C)C1=C(C=NC=C1)C(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(C)C1=C(C=NC=C1)C(=O)[O-].[Br-]

InChI

InChI=1S/C27H45NO3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-23-24(2)25-19-20-28-22-26(25)27(29)30;/h10-11,19-20,22,24H,3-9,12-18,21,23H2,1-2H3,(H,29,30);1H/p-2/b11-10+;