2-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid CAS Name: 2-[5-methyl-3-[(4-methyl-1-piperazinyl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid IUPAC Name: 2-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Traditional Name: 2-[5-methyl-3-[(4-methylpiperazino)methyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=C2CN3CCN(CC3)C)CC(=O)O

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=C2CN3CCN(CC3)C)CC(=O)O

InChI

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