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

Systemtic Name: 4-[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)ethanoylamino]benzoate Openeye Name: 4-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetyl]amino]benzoate Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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