methyl-[2-[oxidanyl-[2-propanoyloxy-4-(4-undecoxyphenyl)butoxy]phosphanyl]oxyethyl]azanium

Systemtic Name: methyl-[2-[oxidanyl-[2-propanoyloxy-4-(4-undecoxyphenyl)butoxy]phosphanyl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[2-propanoyloxy-4-(4-undecoxyphenyl)butoxy]phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopropoxy)-4-(4-undecoxyphenyl)butoxy]phosphino]oxyethyl-methylammonium IUPAC Name: 2-[hydroxy-[2-propanoyloxy-4-(4-undecoxyphenyl)butoxy]phosphanyl]oxyethyl-methylazanium Traditional Name: 2-[hydroxy-[2-propionyloxy-4-(4-undecoxyphenyl)butoxy]phosphino]oxyethyl-methyl-ammonium Formula: C27H49NO6P+ MolecularWeight: 514.654821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(COP(O)OCC[NH2+]C)OC(=O)CC

InChI

InChI=1S/C27H48NO6P/c1-4-6-7-8-9-10-11-12-13-21-31-25-17-14-24(15-18-25)16-19-26(34-27(29)5-2)23-33-35(30)32-22-20-28-3/h14-15,17-18,26,28,30H,4-13,16,19-23H2,1-3H3/p+1