tert-butyl 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridyl]methyl]imidazol-3-ium-1-yl]acetate CAS Name: 2-[3-[[6-[(3-methyl-1-imidazol-3-iumyl)methyl]-2-pyridinyl]methyl]-1-imidazol-3-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridyl]methyl]imidazol-3-ium-1-yl]acetic acid tert-butyl ester Formula: C20H27N5O2+2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C[N+](=C1)CC2=CC=CC(=N2)CN3C=C[N+](=C3)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C[N+](=C1)CC2=CC=CC(=N2)CN3C=C[N+](=C3)C

InChI

InChI=1S/C20H27N5O2/c1-20(2,3)27-19(26)14-25-11-10-24(16-25)13-18-7-5-6-17(21-18)12-23-9-8-22(4)15-23/h5-11,15-16H,12-14H2,1-4H3/q+2