5-[bis(2-hydroxyethyl)-octadecyl-azaniumyl]pentanoate

Systemtic Name: 5-[bis(2-hydroxyethyl)-octadecyl-azaniumyl]pentanoate Openeye Name: 5-[bis(2-hydroxyethyl)-octadecyl-ammonio]pentanoate CAS Name: 5-[bis(2-hydroxyethyl)-octadecylammonio]pentanoate IUPAC Name: 5-[bis(2-hydroxyethyl)-octadecylazaniumyl]pentanoate Traditional Name: 5-[bis(2-hydroxyethyl)-stearyl-ammonio]valerate Formula: C27H55NO4 MolecularWeight: 457.7299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCCC(=O)[O-])(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCC(=O)[O-])(CCO)CCO

InChI

InChI=1S/C27H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-28(23-25-29,24-26-30)22-19-17-20-27(31)32/h29-30H,2-26H2,1H3