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

Systemtic Name: bis(2-acetyloxyethyl)-dodecyl-(phenylmethyl)azanium Openeye Name: bis(2-acetoxyethyl)-benzyl-dodecyl-ammonium CAS Name: bis(2-acetyloxyethyl)-dodecyl-(phenylmethyl)ammonium IUPAC Name: bis(2-acetyloxyethyl)-benzyl-dodecylazanium Traditional Name: bis(2-acetoxyethyl)-benzyl-lauryl-ammonium Formula: C27H46NO4+ MolecularWeight: 448.65844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46NO4/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/q+1