methyl 2-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H15N3O3/c1-16-7-8-17(10-16)9-13(18)15-12-6-4-3-5-11(12)14(19)20-2/h3-8,10H,9H2,1-2H3/p+1