[(1S,2S,3R)-2,3-di(hexanoyloxy)cyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(1S,2S,3R)-2,3-di(hexanoyloxy)cyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(1S,2S,3R)-2,3-di(hexanoyloxy)cyclopentyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(1S,2S,3R)-2,3-bis(1-oxohexoxy)cyclopentyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(1S,2S,3R)-2,3-di(hexanoyloxy)cyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(1S,2S,3R)-2,3-dicaproyloxycyclopentyl] 2-(trimethylammonio)ethyl phosphate Formula: C22H42NO8P MolecularWeight: 479.544541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CCC(C1OC(=O)CCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCC(=O)O[C@@H]1CC[C@@H]([C@H]1OC(=O)CCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C22H42NO8P/c1-6-8-10-12-20(24)29-18-14-15-19(22(18)30-21(25)13-11-9-7-2)31-32(26,27)28-17-16-23(3,4)5/h18-19,22H,6-17H2,1-5H3/t18-,19+,22+/m1/s1