3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-methyl-imidazo[1,2-a]pyridine-2-carboxylate

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-methyl-imidazo[1,2-a]pyridine-2-carboxylate Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-methyl-imidazo[1,2-a]pyridine-2-carboxylate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-methyl-2-imidazo[1,2-a]pyridinecarboxylate IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylate Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-methyl-imidazo[1,2-a]pyridine-2-carboxylate Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(N=C3N2C(=CC=C3)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(N=C3N2C(=CC=C3)C)C(=O)[O-]

InChI

InChI=1S/C16H22N4O2/c1-3-18-7-9-19(10-8-18)11-13-15(16(21)22)17-14-6-4-5-12(2)20(13)14/h4-6H,3,7-11H2,1-2H3,(H,21,22)