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

Systemtic Name: octyl-bis(2-oxidanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis(2-hydroxypropyl)-octyl-ammonium chloride CAS Name: bis(2-hydroxypropyl)-octyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-bis(2-hydroxypropyl)-octylazanium chloride Traditional Name: benzyl-bis(2-hydroxypropyl)-octyl-ammonium chloride Formula: C21H38ClNO2 MolecularWeight: 371.98492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38NO2.ClH/c1-4-5-6-7-8-12-15-22(16-19(2)23,17-20(3)24)18-21-13-10-9-11-14-21;/h9-11,13-14,19-20,23-24H,4-8,12,15-18H2,1-3H3;1H/q+1;/p-1