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

Systemtic Name: bis(2-hydroxyethyl)-(2-oxidanyldodecyl)azanium; pentanoate Openeye Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)ammonium; pentanoate CAS Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)ammonium; pentanoate IUPAC Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)azanium; pentanoate Traditional Name: 2-hydroxydodecyl-bis(2-hydroxyethyl)ammonium; valerate Formula: C21H45NO5 MolecularWeight: 391.5857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H35NO3.C5H10O2/c1-2-3-4-5-6-7-8-9-10-16(20)15-17(11-13-18)12-14-19;1-2-3-4-5(6)7/h16,18-20H,2-15H2,1H3;2-4H2,1H3,(H,6,7)