[(2S)-2-azaniumyl-3-[[(E)-octadec-9-enyl]amino]-3-oxidanylidene-propyl] hydrogen phosphate

Systemtic Name: [(2S)-2-azaniumyl-3-[[(E)-octadec-9-enyl]amino]-3-oxidanylidene-propyl] hydrogen phosphate Openeye Name: [(2S)-2-azaniumyl-3-[[(E)-octadec-9-enyl]amino]-3-oxo-propyl] hydrogen phosphate CAS Name: [(2S)-2-ammonio-3-[[(E)-octadec-9-enyl]amino]-3-oxopropyl] hydrogen phosphate IUPAC Name: [(2S)-2-azaniumyl-3-[[(E)-octadec-9-enyl]amino]-3-oxopropyl] hydrogen phosphate Traditional Name: [(2S)-2-ammonio-3-keto-3-[[(E)-octadec-9-enyl]amino]propyl] hydrogen phosphate Formula: C21H43N2O5P MolecularWeight: 434.550281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)C(COP(=O)(O)[O-])[NH3+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(=O)[C@H](COP(=O)(O)[O-])[NH3+]

InChI

InChI=1S/C21H43N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)20(22)19-28-29(25,26)27/h9-10,20H,2-8,11-19,22H2,1H3,(H,23,24)(H2,25,26,27)/b10-9+/t20-/m0/s1