hexadecyl-dimethyl-(phenylmethyl)azanium phosphate

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium phosphate Openeye Name: benzyl-hexadecyl-dimethyl-ammonium phosphate CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium phosphate IUPAC Name: benzyl-hexadecyl-dimethylazanium phosphate Traditional Name: benzyl-cetyl-dimethyl-ammonium phosphate Formula: C25H46NO4P-2 MolecularWeight: 455.610801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C25H46N.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-5(2,3)4/h17-19,21-22H,4-16,20,23-24H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3