2-azanyl-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-1-benzofuran-5-ol iodide

Systemtic Name: 2-azanyl-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-1-benzofuran-5-ol iodide Openeye Name: 2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-benzofuran-5-ol iodide CAS Name: 2-amino-3-(1,3-dimethyl-2-benzimidazol-3-iumyl)-4,6,7-trimethyl-5-benzofuranol iodide IUPAC Name: 2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-1-benzofuran-5-ol iodide Traditional Name: 2-amino-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4,6,7-trimethyl-benzofuran-5-ol iodide Formula: C20H22IN3O2 MolecularWeight: 463.31205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C(OC2=C1C)N)C3=[N+](C4=CC=CC=C4N3C)C)C)O.[I-]

Isomeric SMILES

CC1=C(C(=C2C(=C(OC2=C1C)N)C3=[N+](C4=CC=CC=C4N3C)C)C)O.[I-]

InChI

InChI=1S/C20H21N3O2.HI/c1-10-11(2)18-15(12(3)17(10)24)16(19(21)25-18)20-22(4)13-8-6-7-9-14(13)23(20)5;/h6-9,21,24H,1-5H3;1H