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

Systemtic Name: 6-chloranyl-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one iodide Openeye Name: 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxo-propyl]-1,3-benzoxazol-2-one iodide CAS Name: 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide IUPAC Name: 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide Traditional Name: 6-chloro-3-[3-[4-(2-imidazolin-1-ium-2-ylamino)phenyl]-3-keto-propyl]-1,3-benzoxazol-2-one iodide Formula: C19H18ClIN4O3 MolecularWeight: 512.72869

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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)Cl)OC3=O.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3.HI/c20-13-3-6-15-17(11-13)27-19(26)24(15)10-7-16(25)12-1-4-14(5-2-12)23-18-21-8-9-22-18;/h1-6,11H,7-10H2,(H2,21,22,23);1H