2-[2-methyl-3-(4-methylpentyl)imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-3-(4-methylpentyl)imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-(3-isohexyl-2-methyl-imidazol-1-ium-1-yl)acetic acid CAS Name: 2-[2-methyl-3-(4-methylpentyl)-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylpentyl)imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-(3-isohexyl-2-methyl-imidazol-1-ium-1-yl)acetic acid Formula: C12H21N2O2+ MolecularWeight: 225.30734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCCC(C)C)CC(=O)O

Isomeric SMILES

CC1=[N+](C=CN1CCCC(C)C)CC(=O)O

InChI

InChI=1S/C12H20N2O2/c1-10(2)5-4-6-13-7-8-14(11(13)3)9-12(15)16/h7-8,10H,4-6,9H2,1-3H3/p+1