butanoate; 1-ethyl-3-methyl-imidazol-3-ium

Systemtic Name: butanoate; 1-ethyl-3-methyl-imidazol-3-ium Openeye Name: butanoate; 1-ethyl-3-methyl-imidazol-3-ium CAS Name: butanoate; 1-ethyl-3-methylimidazol-3-ium IUPAC Name: butanoate; 1-ethyl-3-methylimidazol-3-ium Traditional Name: butyrate; 1-ethyl-3-methyl-imidazol-3-ium Formula: C10H18N2O2 MolecularWeight: 198.26212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CCN1C=C[N+](=C1)C

Isomeric SMILES

CCCC(=O)[O-].CCN1C=C[N+](=C1)C

InChI

InChI=1S/C6H11N2.C4H8O2/c1-3-8-5-4-7(2)6-8;1-2-3-4(5)6/h4-6H,3H2,1-2H3;2-3H2,1H3,(H,5,6)/q+1;/p-1