dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-tetracos-15-en-4-yl]azanium

Systemtic Name: dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-tetracos-15-en-4-yl]azanium Openeye Name: (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-[(E)-1-propylhenicos-12-enyl]ammonium CAS Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-tetracos-15-en-4-yl]ammonium IUPAC Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-tetracos-15-en-4-yl]azanium Traditional Name: (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-[(E)-1-propylheneicos-12-enyl]ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H60NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(24-6-2)30(3,4)27-26-29(31)35-36(32,33)34/h13-14,28-29,31H,5-12,15-27H2,1-4H3,(H-,32,33,34)/p+1/b14-13+