6-[(2-butanoyl-3-oxidanylidene-cyclohexen-1-yl)azaniumyl]hexanoate

Systemtic Name: 6-[(2-butanoyl-3-oxidanylidene-cyclohexen-1-yl)azaniumyl]hexanoate Openeye Name: 6-[(2-butanoyl-3-oxo-cyclohexen-1-yl)ammonio]hexanoate CAS Name: 6-[[3-oxo-2-(1-oxobutyl)-1-cyclohexenyl]ammonio]hexanoate IUPAC Name: 6-[(2-butanoyl-3-oxocyclohexen-1-yl)azaniumyl]hexanoate Traditional Name: 6-[(2-butyryl-3-keto-cyclohexen-1-yl)ammonio]hexanoate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CCCC1=O)[NH2+]CCCCCC(=O)[O-]

Isomeric SMILES

CCCC(=O)C1=C(CCCC1=O)[NH2+]CCCCCC(=O)[O-]

InChI

InChI=1S/C16H25NO4/c1-2-7-13(18)16-12(8-6-9-14(16)19)17-11-5-3-4-10-15(20)21/h17H,2-11H2,1H3,(H,20,21)