bis(2-hydroxyethyl)-(1-iodanyl-1-oxidanyl-dodecyl)azanium; pentanoate

Systemtic Name: bis(2-hydroxyethyl)-(1-iodanyl-1-oxidanyl-dodecyl)azanium; pentanoate Openeye Name: bis(2-hydroxyethyl)-(1-hydroxy-1-iodo-dodecyl)ammonium; pentanoate CAS Name: bis(2-hydroxyethyl)-(1-hydroxy-1-iodododecyl)ammonium; pentanoate IUPAC Name: bis(2-hydroxyethyl)-(1-hydroxy-1-iodododecyl)azanium; pentanoate Traditional Name: bis(2-hydroxyethyl)-(1-hydroxy-1-iodo-dodecyl)ammonium; valerate Formula: C21H44INO5 MolecularWeight: 517.48223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H34INO3.C5H10O2/c1-2-3-4-5-6-7-8-9-10-11-16(17,21)18(12-14-19)13-15-20;1-2-3-4-5(6)7/h19-21H,2-15H2,1H3;2-4H2,1H3,(H,6,7)