3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxylate Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(N=C3N2C=CC=C3)C(=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(N=C3N2C=CC=C3)C(=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C18H19N5O2/c24-18(25)17-14(23-8-4-2-6-16(23)20-17)13-21-9-11-22(12-10-21)15-5-1-3-7-19-15/h1-8H,9-13H2,(H,24,25)