2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole Openeye Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole CAS Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole Traditional Name: 2-(3,5-dimethoxybenzyl)sulfonyl-1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC[NH+]4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC[NH+]4CCCC4)OC

InChI

InChI=1S/C22H27N3O4S/c1-28-18-13-17(14-19(15-18)29-2)16-30(26,27)22-23-20-7-3-4-8-21(20)25(22)12-11-24-9-5-6-10-24/h3-4,7-8,13-15H,5-6,9-12,16H2,1-2H3/p+1