ethyl 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C4C(=CC(=C3)Cl)COCO4)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C4C(=CC(=C3)Cl)COCO4)C

InChI

InChI=1S/C22H24ClN2O4/c1-4-24-14(3)25(20-10-15(6-7-19(20)24)22(26)28-5-2)11-16-8-18(23)9-17-12-27-13-29-21(16)17/h6-10H,4-5,11-13H2,1-3H3/q+1