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

Systemtic Name: 3-[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoic acid Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C=C(NC2=CC=C1)CC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=[N+]2C=C(NC2=CC=C1)CC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H15N3O3/c1-11-4-2-7-15-18-14(10-20(11)15)9-16(21)19-13-6-3-5-12(8-13)17(22)23/h2-8,10H,9H2,1H3,(H2,19,21,22,23)/p+1