4-(butanoylamino)but-2-ynyl-diethyl-azanium chloride

Systemtic Name: 4-(butanoylamino)but-2-ynyl-diethyl-azanium chloride Openeye Name: 4-(butanoylamino)but-2-ynyl-diethyl-ammonium chloride CAS Name: diethyl-[4-(1-oxobutylamino)but-2-ynyl]ammonium chloride IUPAC Name: 4-(butanoylamino)but-2-ynyl-diethylazanium chloride Traditional Name: 4-butyramidobut-2-ynyl(diethyl)ammonium chloride Formula: C12H23ClN2O MolecularWeight: 246.77682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC#CC[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCC(=O)NCC#CC[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C12H22N2O.ClH/c1-4-9-12(15)13-10-7-8-11-14(5-2)6-3;/h4-6,9-11H2,1-3H3,(H,13,15);1H