dihydrogen phosphate; 1-(dodecanoylamino)propyl-(2-hydroxyethyl)-methyl-(phenylmethyl)azanium

Systemtic Name: dihydrogen phosphate; 1-(dodecanoylamino)propyl-(2-hydroxyethyl)-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-(dodecanoylamino)propyl]-(2-hydroxyethyl)-methyl-ammonium; dihydrogen phosphate CAS Name: dihydrogen phosphate; 2-hydroxyethyl-methyl-[1-(1-oxododecylamino)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-(dodecanoylamino)propyl]-(2-hydroxyethyl)-methylazanium; dihydrogen phosphate Traditional Name: benzyl-(2-hydroxyethyl)-[1-(lauroylamino)propyl]-methyl-ammonium; dihydrogen phosphate Formula: C25H47N2O6P MolecularWeight: 502.624241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC)[N+](C)(CCO)CC1=CC=CC=C1.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC)[N+](C)(CCO)CC1=CC=CC=C1.OP(=O)(O)[O-]

InChI

InChI=1S/C25H44N2O2.H3O4P/c1-4-6-7-8-9-10-11-12-16-19-25(29)26-24(5-2)27(3,20-21-28)22-23-17-14-13-15-18-23;1-5(2,3)4/h13-15,17-18,24,28H,4-12,16,19-22H2,1-3H3;(H3,1,2,3,4)