2-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ethanoate iodide

Systemtic Name: 2-(6-chloranyl-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ethanoate iodide Openeye Name: 2-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl acetate iodide CAS Name: acetic acid 2-(6-chloro-2-methyl-3-phenyl-1-benzimidazol-1-iumyl)ethyl ester iodide IUPAC Name: 2-(6-chloro-2-methyl-3-phenylbenzimidazol-1-ium-1-yl)ethyl acetate iodide Traditional Name: acetic acid 2-(6-chloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)ethyl ester iodide Formula: C18H18ClIN2O2 MolecularWeight: 456.70519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCOC(=O)C.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCOC(=O)C.[I-]

InChI

InChI=1S/C18H18ClN2O2.HI/c1-13-20(10-11-23-14(2)22)18-12-15(19)8-9-17(18)21(13)16-6-4-3-5-7-16;/h3-9,12H,10-11H2,1-2H3;1H/q+1;/p-1