3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxidanylidene-propyl]-6-nitro-1,3-benzoxazol-2-one iodide

Systemtic Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxidanylidene-propyl]-6-nitro-1,3-benzoxazol-2-one iodide Openeye Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxo-propyl]-6-nitro-1,3-benzoxazol-2-one iodide CAS Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide IUPAC Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide Traditional Name: 3-[3-[4-(2-imidazolin-1-ium-2-ylamino)phenyl]-3-keto-propyl]-6-nitro-1,3-benzoxazol-2-one iodide Formula: C19H18IN5O5 MolecularWeight: 523.28119

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O.[I-]

Isomeric SMILES

C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O.[I-]

InChI

InChI=1S/C19H17N5O5.HI/c25-16(12-1-3-13(4-2-12)22-18-20-8-9-21-18)7-10-23-15-6-5-14(24(27)28)11-17(15)29-19(23)26;/h1-6,11H,7-10H2,(H2,20,21,22);1H