methyl-[2-[(3-nonadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl]azanium

Systemtic Name: methyl-[2-[(3-nonadecoxy-2-propanoyloxy-propoxy)-oxidanyl-phosphoryl]ethyl]azanium Openeye Name: 2-[hydroxy-(3-nonadecoxy-2-propanoyloxy-propoxy)phosphoryl]ethyl-methyl-ammonium CAS Name: 2-[hydroxy-[3-nonadecoxy-2-(1-oxopropoxy)propoxy]phosphoryl]ethyl-methylammonium IUPAC Name: 2-[hydroxy-(3-nonadecoxy-2-propanoyloxypropoxy)phosphoryl]ethyl-methylazanium Traditional Name: 2-[hydroxy-(3-nonadecoxy-2-propionyloxy-propoxy)phosphoryl]ethyl-methyl-ammonium Formula: C28H59NO6P+ MolecularWeight: 536.744921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CC

InChI

InChI=1S/C28H58NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-27(35-28(30)5-2)26-34-36(31,32)24-22-29-3/h27,29H,4-26H2,1-3H3,(H,31,32)/p+1