ethyl 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]imidazol-1-ium-1-yl]propanoate

Systemtic Name: ethyl 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]imidazol-1-ium-1-yl]propanoate Openeye Name: ethyl 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]imidazol-1-ium-1-yl]propanoate CAS Name: 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]-1-imidazol-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]imidazol-1-ium-1-yl]propanoate Traditional Name: 3-[3-[4-(5-methyl-1,3-dioxan-2-yl)phenyl]imidazol-1-ium-1-yl]propionic acid ethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC[N+]1=CN(C=C1)C2=CC=C(C=C2)C3OCC(CO3)C

Isomeric SMILES

CCOC(=O)CC[N+]1=CN(C=C1)C2=CC=C(C=C2)C3OCC(CO3)C

InChI

InChI=1S/C19H25N2O4/c1-3-23-18(22)8-9-20-10-11-21(14-20)17-6-4-16(5-7-17)19-24-12-15(2)13-25-19/h4-7,10-11,14-15,19H,3,8-9,12-13H2,1-2H3/q+1