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

Systemtic Name: 5-[bis(2-hydroxyethyl)-(2-oxidanyldodecyl)azaniumyl]pentanoate Openeye Name: 5-[2-hydroxydodecyl-bis(2-hydroxyethyl)ammonio]pentanoate CAS Name: 5-[2-hydroxydodecyl-bis(2-hydroxyethyl)ammonio]pentanoate IUPAC Name: 5-[2-hydroxydodecyl-bis(2-hydroxyethyl)azaniumyl]pentanoate Traditional Name: 5-[2-hydroxydodecyl-bis(2-hydroxyethyl)ammonio]valerate Formula: C21H43NO5 MolecularWeight: 389.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](CCCCC(=O)[O-])(CCO)CCO)O

Isomeric SMILES

CCCCCCCCCCC(C[N+](CCCCC(=O)[O-])(CCO)CCO)O

InChI

InChI=1S/C21H43NO5/c1-2-3-4-5-6-7-8-9-12-20(25)19-22(15-17-23,16-18-24)14-11-10-13-21(26)27/h20,23-25H,2-19H2,1H3