methyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxypropyl]azanium

Systemtic Name: methyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-pentoxy]phosphoryl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxopentoxy]phosphoryl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)pentoxy]phosphoryl]oxypropyl-methyl-ammonium Formula: C34H63NO6P+ MolecularWeight: 612.840881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCC[NH2+]C

InChI

InChI=1S/C34H62NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-39-34-24-20-19-23-33(34)29-32(28-31(2)36)30-41-42(37,38)40-27-22-25-35-3/h19-20,23-24,32,35H,4-18,21-22,25-30H2,1-3H3,(H,37,38)/p+1