3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxidanylidene-propyl]-6-methyl-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-methyl-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-methyl-1,3-benzoxazol-2-one iodide CAS Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide IUPAC Name: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide Traditional Name: 3-[3-[4-(2-imidazolin-1-ium-2-ylamino)phenyl]-3-keto-propyl]-6-methyl-1,3-benzoxazol-2-one iodide Formula: C20H21IN4O3 MolecularWeight: 492.31021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)O2)CCC(=O)C3=CC=C(C=C3)NC4=NCC[NH2+]4.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)O2)CCC(=O)C3=CC=C(C=C3)NC4=NCC[NH2+]4.[I-]

InChI

InChI=1S/C20H20N4O3.HI/c1-13-2-7-16-18(12-13)27-20(26)24(16)11-8-17(25)14-3-5-15(6-4-14)23-19-21-9-10-22-19;/h2-7,12H,8-11H2,1H3,(H2,21,22,23);1H