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bis(2-hydroxyethyl)-octadecyl-azanium; pentanoate

bis(2-hydroxyethyl)-octadecyl-azanium; pentanoate

Systemtic Name:bis(2-hydroxyethyl)-octadecyl-azanium; pentanoate
Openeye Name:bis(2-hydroxyethyl)-octadecyl-ammonium; pentanoate
CAS Name:bis(2-hydroxyethyl)-octadecylammonium; pentanoate
IUPAC Name:bis(2-hydroxyethyl)-octadecylazanium; pentanoate
Traditional Name:bis(2-hydroxyethyl)-stearyl-ammonium; valerate
Formula: C27H57NO4
MolecularWeight: 459.74578
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CCO)CCO.CCCCC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](CCO)CCO.CCCCC(=O)[O-]


InChI

InChI=1S/C22H47NO2.C5H10O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5(6)7/h24-25H,2-22H2,1H3;2-4H2,1H3,(H,6,7)


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