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

Systemtic Name: dodecyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-dodecyl-bis(2-hydroxypropyl)ammonium chloride CAS Name: dodecyl-bis(2-hydroxypropyl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dodecyl-bis(2-hydroxypropyl)azanium chloride Traditional Name: benzyl-bis(2-hydroxypropyl)-lauryl-ammonium chloride Formula: C25H46ClNO2 MolecularWeight: 428.09124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26(20-23(2)27,21-24(3)28)22-25-17-14-13-15-18-25;/h13-15,17-18,23-24,27-28H,4-12,16,19-22H2,1-3H3;1H/q+1;/p-1