[2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]methyl hexanoate chloride

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]methyl hexanoate chloride Openeye Name: (2,5-dioxopyrrol-1-ium-1-yl)methyl hexanoate chloride CAS Name: hexanoic acid (2,5-dioxo-1-pyrrol-1-iumyl)methyl ester chloride IUPAC Name: (2,5-dioxopyrrol-1-ium-1-yl)methyl hexanoate chloride Traditional Name: hexanoic acid (2,5-diketo-3-pyrrolin-1-ium-1-yl)methyl ester chloride Formula: C11H16ClNO4 MolecularWeight: 261.70204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC[NH+]1C(=O)C=CC1=O.[Cl-]

Isomeric SMILES

CCCCCC(=O)OC[NH+]1C(=O)C=CC1=O.[Cl-]

InChI

InChI=1S/C11H15NO4.ClH/c1-2-3-4-5-11(15)16-8-12-9(13)6-7-10(12)14;/h6-7H,2-5,8H2,1H3;1H