2-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-3-cyano-2-oxidanylidene-benzimidazol-3-ium-1-yl]butyl ethanoate

Systemtic Name: 2-[3-[(3-chloranyl-4-methoxy-phenyl)methyl]-3-cyano-2-oxidanylidene-benzimidazol-3-ium-1-yl]butyl ethanoate Openeye Name: 2-[3-[(3-chloro-4-methoxy-phenyl)methyl]-3-cyano-2-oxo-benzimidazol-3-ium-1-yl]butyl acetate CAS Name: acetic acid 2-[3-[(3-chloro-4-methoxyphenyl)methyl]-3-cyano-2-oxo-1-benzimidazol-3-iumyl]butyl ester IUPAC Name: 2-[3-[(3-chloro-4-methoxyphenyl)methyl]-3-cyano-2-oxobenzimidazol-3-ium-1-yl]butyl acetate Traditional Name: acetic acid 2-[3-(3-chloro-4-methoxy-benzyl)-3-cyano-2-keto-benzimidazol-3-ium-1-yl]butyl ester Formula: C22H23ClN3O4+ MolecularWeight: 428.88872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C)N1C2=CC=CC=C2[N+](C1=O)(CC3=CC(=C(C=C3)OC)Cl)C#N

Isomeric SMILES

CCC(COC(=O)C)N1C2=CC=CC=C2[N+](C1=O)(CC3=CC(=C(C=C3)OC)Cl)C#N

InChI

InChI=1S/C22H23ClN3O4/c1-4-17(13-30-15(2)27)25-19-7-5-6-8-20(19)26(14-24,22(25)28)12-16-9-10-21(29-3)18(23)11-16/h5-11,17H,4,12-13H2,1-3H3/q+1