5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]benzimidazol-2-one iodide

Systemtic Name: 5-chloranyl-1-(2,4-dimethoxyphenyl)sulfonyl-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]benzimidazol-2-one iodide Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-benzimidazol-2-one iodide CAS Name: 5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-benzimidazolone iodide IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonylbenzimidazol-2-one iodide Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-benzimidazol-2-one iodide Formula: C28H31ClIN3O5S MolecularWeight: 683.98531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)N2C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)CC5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)N2C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)CC5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H31ClN3O5S.HI/c1-32(19-20-7-5-4-6-8-20)15-13-22(14-16-32)30-25-17-21(29)9-11-24(25)31(28(30)33)38(34,35)27-12-10-23(36-2)18-26(27)37-3;/h4-12,17-18,22H,13-16,19H2,1-3H3;1H/q+1;/p-1