2-[1-(carboxymethyl)-2-octyl-imidazol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-2-octyl-imidazol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(carboxymethyl)-2-octyl-imidazol-1-ium-1-yl]propanoic acid CAS Name: 2-[1-(carboxymethyl)-2-octyl-1-imidazol-1-iumyl]propanoic acid IUPAC Name: 2-[1-(carboxymethyl)-2-octylimidazol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(carboxymethyl)-2-octyl-imidazol-1-ium-1-yl]propionic acid Formula: C16H27N2O4+ MolecularWeight: 311.39658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)C(=O)O

InChI

InChI=1S/C16H26N2O4/c1-3-4-5-6-7-8-9-14-17-10-11-18(14,12-15(19)20)13(2)16(21)22/h10-11,13H,3-9,12H2,1-2H3,(H-,19,20,21,22)/p+1