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

Systemtic Name: bis(2-oxidanylpropyl)-(phenylmethyl)-tetradecyl-azanium chloride Openeye Name: benzyl-bis(2-hydroxypropyl)-tetradecyl-ammonium chloride CAS Name: bis(2-hydroxypropyl)-(phenylmethyl)-tetradecylammonium chloride IUPAC Name: benzyl-bis(2-hydroxypropyl)-tetradecylazanium chloride Traditional Name: benzyl-bis(2-hydroxypropyl)-myristyl-ammonium chloride Formula: C27H50ClNO2 MolecularWeight: 456.1444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-25(2)29,23-26(3)30)24-27-19-16-15-17-20-27;/h15-17,19-20,25-26,29-30H,4-14,18,21-24H2,1-3H3;1H/q+1;/p-1