4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methyl-pyridin-1-ium chloride CAS Name: 4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methylpyridin-1-ium chloride IUPAC Name: 4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methylpyridin-1-ium chloride Traditional Name: 4-[4-bis[(Z)-octadec-9-enoxy]phosphorylbutyl]-1-methyl-pyridin-1-ium chloride Formula: C46H85ClNO3P MolecularWeight: 766.598761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOP(=O)(CCCCC1=CC=[N+](C=C1)C)OCCCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOP(=O)(OCCCCCCCC/C=C\CCCCCCCC)CCCCC1=CC=[N+](C=C1)C.[Cl-]

InChI

InChI=1S/C46H85NO3P.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-43-49-51(48,45-37-34-38-46-39-41-47(3)42-40-46)50-44-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,39-42H,4-17,22-38,43-45H2,1-3H3;1H/q+1;/p-1/b20-18-,21-19-;