dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-pentacos-16-en-5-yl]azanium

Systemtic Name: dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-[(E)-pentacos-16-en-5-yl]azanium Openeye Name: [(E)-1-butylhenicos-12-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium CAS Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-pentacos-16-en-5-yl]ammonium IUPAC Name: (3-hydroxy-3-phosphonooxypropyl)-dimethyl-[(E)-pentacos-16-en-5-yl]azanium Traditional Name: [(E)-1-butylheneicos-12-enyl]-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO5P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(25-8-6-2)31(3,4)28-27-30(32)36-37(33,34)35/h14-15,29-30,32H,5-13,16-28H2,1-4H3,(H-,33,34,35)/p+1/b15-14+