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

Systemtic Name: bis(2-acetyloxyethyl)-dodecyl-(phenylmethyl)azanium chloride Openeye Name: bis(2-acetoxyethyl)-benzyl-dodecyl-ammonium chloride CAS Name: bis(2-acetyloxyethyl)-dodecyl-(phenylmethyl)ammonium chloride IUPAC Name: bis(2-acetyloxyethyl)-benzyl-dodecylazanium chloride Traditional Name: bis(2-acetoxyethyl)-benzyl-lauryl-ammonium chloride Formula: C27H46ClNO4 MolecularWeight: 484.11144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46NO4.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-28(20-22-31-25(2)29,21-23-32-26(3)30)24-27-17-14-13-15-18-27;/h13-15,17-18H,4-12,16,19-24H2,1-3H3;1H/q+1;/p-1