2-[3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(NC3=CC=CC=[N+]32)CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(NC3=CC=CC=[N+]32)CC(=O)[O-]

InChI

InChI=1S/C16H22N4O2/c1-2-18-7-9-19(10-8-18)12-14-13(11-16(21)22)17-15-5-3-4-6-20(14)15/h3-6H,2,7-12H2,1H3,(H,21,22)/p+1