1-[(E)-2-ethylhex-2-enyl]-1-methyl-piperidin-1-ium chloride

Systemtic Name: 1-[(E)-2-ethylhex-2-enyl]-1-methyl-piperidin-1-ium chloride Openeye Name: 1-[(E)-2-ethylhex-2-enyl]-1-methyl-piperidin-1-ium chloride CAS Name: 1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium chloride IUPAC Name: 1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium chloride Traditional Name: 1-[(E)-2-ethylhex-2-enyl]-1-methyl-piperidin-1-ium chloride Formula: C14H28ClN MolecularWeight: 245.83182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CC)C[N+]1(CCCCC1)C.[Cl-]

Isomeric SMILES

CCC/C=C(\CC)/C[N+]1(CCCCC1)C.[Cl-]

InChI

InChI=1S/C14H28N.ClH/c1-4-6-10-14(5-2)13-15(3)11-8-7-9-12-15;/h10H,4-9,11-13H2,1-3H3;1H/q+1;/p-1/b14-10+;