butyl phosphate; hexadecyl(trimethyl)azanium

Systemtic Name: butyl phosphate; hexadecyl(trimethyl)azanium Openeye Name: butyl phosphate; hexadecyl(trimethyl)ammonium CAS Name: butyl phosphate; hexadecyl(trimethyl)ammonium IUPAC Name: butyl phosphate; hexadecyl(trimethyl)azanium Traditional Name: butyl phosphate; cetyl(trimethyl)ammonium Formula: C23H51NO4P- MolecularWeight: 436.629101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCOP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCOP(=O)([O-])[O-]

InChI

InChI=1S/C19H42N.C4H11O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-8-9(5,6)7/h5-19H2,1-4H3;2-4H2,1H3,(H2,5,6,7)/q+1;/p-2