dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-pentacos-16-en-3-yl]azanium

Systemtic Name: dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-pentacos-16-en-3-yl]azanium Openeye Name: [(E)-1-ethyltricos-14-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium CAS Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-pentacos-16-en-3-yl]ammonium IUPAC Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-pentacos-16-en-3-yl]azanium Traditional Name: [(E)-1-ethyltricos-14-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCC(CC)[N+](C)(C)CCC(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCC(CC)[N+](C)(C)CCC(O)OP(=O)(O)O

InChI

InChI=1S/C30H62NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(6-2)31(3,4)28-27-30(32)36-37(33,34)35/h13-14,29-30,32H,5-12,15-28H2,1-4H3,(H-,33,34,35)/p+1/b14-13+