[1-methyl-3-[(E)-octadec-9-enoyl]oxy-pyridin-1-ium-2-yl]methyl (E)-octadec-9-enoate chloride

Systemtic Name: [1-methyl-3-[(E)-octadec-9-enoyl]oxy-pyridin-1-ium-2-yl]methyl (E)-octadec-9-enoate chloride Openeye Name: [1-methyl-3-[(E)-octadec-9-enoyl]oxy-pyridin-1-ium-2-yl]methyl (E)-octadec-9-enoate chloride CAS Name: (E)-9-octadecenoic acid [1-methyl-3-[(E)-1-oxooctadec-9-enoxy]-2-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [1-methyl-3-[(E)-octadec-9-enoyl]oxypyridin-1-ium-2-yl]methyl (E)-octadec-9-enoate chloride Traditional Name: (E)-octadec-9-enoic acid [1-methyl-3-[(E)-octadec-9-enoyl]oxy-pyridin-1-ium-2-yl]methyl ester chloride Formula: C43H74ClNO4 MolecularWeight: 704.50496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC1=C(C=CC=[N+]1C)OC(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC1=C(C=CC=[N+]1C)OC(=O)CCCCCCC/C=C/CCCCCCCC.[Cl-]

InChI

InChI=1S/C43H74NO4.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(45)47-39-40-41(35-34-38-44(40)3)48-43(46)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,34-35,38H,4-17,22-33,36-37,39H2,1-3H3;1H/q+1;/p-1/b20-18+,21-19+;