2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]ethanoic acid Openeye Name: 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridyl]methyl]imidazol-3-ium-1-yl]acetic acid CAS Name: 2-[3-[[6-[(3-methyl-1-imidazol-3-iumyl)methyl]-2-pyridinyl]methyl]-1-imidazol-3-iumyl]acetic acid IUPAC Name: 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-2-yl]methyl]imidazol-3-ium-1-yl]acetic acid Traditional Name: 2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridyl]methyl]imidazol-3-ium-1-yl]acetic acid Formula: C16H19N5O2+2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=NC(=CC=C2)C[N+]3=CN(C=C3)CC(=O)O

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=NC(=CC=C2)C[N+]3=CN(C=C3)CC(=O)O

InChI

InChI=1S/C16H18N5O2/c1-18-5-6-19(12-18)9-14-3-2-4-15(17-14)10-20-7-8-21(13-20)11-16(22)23/h2-8,12-13H,9-11H2,1H3/q+1/p+1