1-methyl-4-[4-[[(Z)-octadec-9-enoxy]-tetradecoxy-phosphoryl]butyl]pyridin-1-ium chloride

Systemtic Name: 1-methyl-4-[4-[[(Z)-octadec-9-enoxy]-tetradecoxy-phosphoryl]butyl]pyridin-1-ium chloride Openeye Name: 1-methyl-4-[4-[[(Z)-octadec-9-enoxy]-tetradecoxy-phosphoryl]butyl]pyridin-1-ium chloride CAS Name: 1-methyl-4-[4-[[(Z)-octadec-9-enoxy]-tetradecoxyphosphoryl]butyl]pyridin-1-ium chloride IUPAC Name: 1-methyl-4-[4-[[(Z)-octadec-9-enoxy]-tetradecoxyphosphoryl]butyl]pyridin-1-ium chloride Traditional Name: 1-methyl-4-[4-[myristyloxy-[(Z)-octadec-9-enoxy]phosphoryl]butyl]pyridin-1-ium chloride Formula: C42H79ClNO3P MolecularWeight: 712.508321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H79NO3P.ClH/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-32-40-46-47(44,41-33-30-34-42-35-37-43(3)38-36-42)45-39-31-28-26-24-22-17-15-13-11-9-7-5-2;/h18-19,35-38H,4-17,20-34,39-41H2,1-3H3;1H/q+1;/p-1/b19-18-;