[1-[3-[2,3-bis(oxidanyl)propyl]phosphol-1-yl]oxy-3-oxidanylidene-icosan-2-yl]-trimethyl-azanium

Systemtic Name: [1-[3-[2,3-bis(oxidanyl)propyl]phosphol-1-yl]oxy-3-oxidanylidene-icosan-2-yl]-trimethyl-azanium Openeye Name: [1-[[3-(2,3-dihydroxypropyl)phosphol-1-yl]oxymethyl]-2-oxo-nonadecyl]-trimethyl-ammonium CAS Name: [1-[[3-(2,3-dihydroxypropyl)-1-phospholyl]oxy]-3-oxoeicosan-2-yl]-trimethylammonium IUPAC Name: [1-[3-(2,3-dihydroxypropyl)phosphol-1-yl]oxy-3-oxoicosan-2-yl]-trimethylazanium Traditional Name: [1-[(3-glycerylphosphol-1-yl)oxymethyl]-2-keto-nonadecyl]-trimethyl-ammonium Formula: C30H57NO4P+ MolecularWeight: 526.751641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(COP1C=CC(=C1)CC(CO)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(COP1C=CC(=C1)CC(CO)O)[N+](C)(C)C

InChI

InChI=1S/C30H57NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(34)29(31(2,3)4)25-35-36-22-21-27(26-36)23-28(33)24-32/h21-22,26,28-29,32-33H,5-20,23-25H2,1-4H3/q+1