(3-ethyl-4-methyl-hexan-3-yl)-(prop-2-enoylamino)azanium chloride

Systemtic Name: (3-ethyl-4-methyl-hexan-3-yl)-(prop-2-enoylamino)azanium chloride Openeye Name: (1,1-diethyl-2-methyl-butyl)-(prop-2-enoylamino)ammonium chloride CAS Name: (3-ethyl-4-methylhexan-3-yl)-(1-oxoprop-2-enylamino)ammonium chloride IUPAC Name: (3-ethyl-4-methylhexan-3-yl)-(prop-2-enoylamino)azanium chloride Traditional Name: acrylamido-(1,1-diethyl-2-methyl-butyl)ammonium chloride Formula: C12H25ClN2O MolecularWeight: 248.7927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC)(CC)[NH2+]NC(=O)C=C.[Cl-]

Isomeric SMILES

CCC(C)C(CC)(CC)[NH2+]NC(=O)C=C.[Cl-]

InChI

InChI=1S/C12H24N2O.ClH/c1-6-10(5)12(8-3,9-4)14-13-11(15)7-2;/h7,10,14H,2,6,8-9H2,1,3-5H3,(H,13,15);1H