dimethyl-(2-oxidanyl-3-phenoxy-propyl)-tridecyl-azanium; propan-2-yl hydrogen phosphate

Systemtic Name: dimethyl-(2-oxidanyl-3-phenoxy-propyl)-tridecyl-azanium; propan-2-yl hydrogen phosphate Openeye Name: (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium; isopropyl hydrogen phosphate CAS Name: (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylammonium; propan-2-yl hydrogen phosphate IUPAC Name: (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylazanium; propan-2-yl hydrogen phosphate Traditional Name: (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium; isopropyl hydrogen phosphate Formula: C27H52NO6P MolecularWeight: 517.678641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CC(C)OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CC(C)OP(=O)(O)[O-]

InChI

InChI=1S/C24H44NO2.C3H9O4P/c1-4-5-6-7-8-9-10-11-12-13-17-20-25(2,3)21-23(26)22-27-24-18-15-14-16-19-24;1-3(2)7-8(4,5)6/h14-16,18-19,23,26H,4-13,17,20-22H2,1-3H3;3H,1-2H3,(H2,4,5,6)/q+1;/p-1