2-[1-(9H-xanthen-9-ylcarbonylamino)imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(9H-xanthen-9-ylcarbonylamino)imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(9H-xanthene-9-carbonylamino)imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[[oxo(9H-xanthen-9-yl)methyl]amino]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-(9H-xanthene-9-carbonylamino)imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(9H-xanthene-9-carbonylamino)imidazol-1-ium-1-yl]acetic acid Formula: C19H16N3O4+ MolecularWeight: 350.34804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N[N+]4(C=CN=C4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N[N+]4(C=CN=C4)CC(=O)O

InChI

InChI=1S/C19H15N3O4/c23-17(24)11-22(10-9-20-12-22)21-19(25)18-13-5-1-3-7-15(13)26-16-8-4-2-6-14(16)18/h1-10,12,18H,11H2,(H-,21,23,24,25)/p+1