N-[5-[(2,4-dichlorophenyl)methyl]-1-methyl-benzimidazol-1-ium-1-yl]sulfonylpentanamide

Systemtic Name: N-[5-[(2,4-dichlorophenyl)methyl]-1-methyl-benzimidazol-1-ium-1-yl]sulfonylpentanamide Openeye Name: N-[5-[(2,4-dichlorophenyl)methyl]-1-methyl-benzimidazol-1-ium-1-yl]sulfonylpentanamide CAS Name: N-[[5-[(2,4-dichlorophenyl)methyl]-1-methyl-1-benzimidazol-1-iumyl]sulfonyl]pentanamide IUPAC Name: N-[5-[(2,4-dichlorophenyl)methyl]-1-methylbenzimidazol-1-ium-1-yl]sulfonylpentanamide Traditional Name: N-[5-(2,4-dichlorobenzyl)-1-methyl-benzimidazol-1-ium-1-yl]sulfonylvaleramide Formula: C20H22Cl2N3O3S+ MolecularWeight: 455.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NS(=O)(=O)[N+]1(C=NC2=C1C=CC(=C2)CC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCCCC(=O)NS(=O)(=O)[N+]1(C=NC2=C1C=CC(=C2)CC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H21Cl2N3O3S/c1-3-4-5-20(26)24-29(27,28)25(2)13-23-18-11-14(6-9-19(18)25)10-15-7-8-16(21)12-17(15)22/h6-9,11-13H,3-5,10H2,1-2H3/p+1