[3-(5-acetamido-2-ethoxy-pyridin-1-ium-1-yl)-5-acetyloxy-pentyl] ethanoate ethanoate

Systemtic Name: [3-(5-acetamido-2-ethoxy-pyridin-1-ium-1-yl)-5-acetyloxy-pentyl] ethanoate ethanoate Openeye Name: [3-(5-acetamido-2-ethoxy-pyridin-1-ium-1-yl)-5-acetoxy-pentyl] acetate acetate CAS Name: acetic acid [3-(5-acetamido-2-ethoxy-1-pyridin-1-iumyl)-5-acetyloxypentyl] ester acetate IUPAC Name: [3-(5-acetamido-2-ethoxypyridin-1-ium-1-yl)-5-acetyloxypentyl] acetate acetate Traditional Name: acetic acid [3-(5-acetamido-2-ethoxy-pyridin-1-ium-1-yl)-5-acetoxy-pentyl] ester acetate Formula: C20H30N2O8 MolecularWeight: 426.4608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=[N+](C=C(C=C1)NC(=O)C)C(CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]

Isomeric SMILES

CCOC1=[N+](C=C(C=C1)NC(=O)C)C(CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]

InChI

InChI=1S/C18H26N2O6.C2H4O2/c1-5-24-18-7-6-16(19-13(2)21)12-20(18)17(8-10-25-14(3)22)9-11-26-15(4)23;1-2(3)4/h6-7,12,17H,5,8-11H2,1-4H3;1H3,(H,3,4)