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

Systemtic Name: 4-bis[(Z)-octadec-9-enoxy]phosphoryl-1-methyl-pyridin-1-ium Openeye Name: 4-bis[(Z)-octadec-9-enoxy]phosphoryl-1-methyl-pyridin-1-ium CAS Name: 4-bis[(Z)-octadec-9-enoxy]phosphoryl-1-methylpyridin-1-ium IUPAC Name: 4-bis[(Z)-octadec-9-enoxy]phosphoryl-1-methylpyridin-1-ium Traditional Name: 4-bis[(Z)-octadec-9-enoxy]phosphoryl-1-methyl-pyridin-1-ium Formula: C42H77NO3P+ MolecularWeight: 675.039441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOP(=O)(C1=CC=[N+](C=C1)C)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C42H77NO3P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-45-47(44,42-36-38-43(3)39-37-42)46-41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-39H,4-17,22-35,40-41H2,1-3H3/q+1/b20-18-,21-19-