hexadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride

Systemtic Name: hexadecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-hexadecyl-bis(2-hydroxypropyl)ammonium chloride CAS Name: hexadecyl-bis(2-hydroxypropyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-hexadecyl-bis(2-hydroxypropyl)azanium chloride Traditional Name: benzyl-cetyl-bis(2-hydroxypropyl)ammonium chloride Formula: C29H54ClNO2 MolecularWeight: 484.19756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29;/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3;1H/q+1;/p-1