hexadecyl(trimethyl)azanium; (3-methyloxiran-2-yl)phosphonic acid

Systemtic Name: hexadecyl(trimethyl)azanium; (3-methyloxiran-2-yl)phosphonic acid Openeye Name: hexadecyl(trimethyl)ammonium; (3-methyloxiran-2-yl)phosphonic acid CAS Name: hexadecyl(trimethyl)ammonium; (3-methyl-2-oxiranyl)phosphonic acid IUPAC Name: hexadecyl(trimethyl)azanium; (3-methyloxiran-2-yl)phosphonic acid Traditional Name: cetyl(trimethyl)ammonium; (3-methyloxiran-2-yl)phosphonic acid Formula: C22H49NO4P+ MolecularWeight: 422.602521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC1C(O1)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC1C(O1)P(=O)(O)O

InChI

InChI=1S/C19H42N.C3H7O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3(7-2)8(4,5)6/h5-19H2,1-4H3;2-3H,1H3,(H2,4,5,6)/q+1;