dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-tricos-14-en-3-yl]azanium

Systemtic Name: dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-tricos-14-en-3-yl]azanium Openeye Name: [(E)-1-ethylhenicos-12-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium CAS Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-tricos-14-en-3-yl]ammonium IUPAC Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-tricos-14-en-3-yl]azanium Traditional Name: [(E)-1-ethylheneicos-12-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C28H59NO5P+ MolecularWeight: 520.745521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H58NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(6-2)29(3,4)26-25-28(30)34-35(31,32)33/h13-14,27-28,30H,5-12,15-26H2,1-4H3,(H-,31,32,33)/p+1/b14-13+