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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Openeye Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole CAS Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-[2-(1-piperidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylsulfonyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Traditional Name: 2-(3,5-dimethoxybenzyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CS(=O)(=O)C2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

InChI

InChI=1S/C23H29N3O4S/c1-29-19-14-18(15-20(16-19)30-2)17-31(27,28)23-24-21-8-4-5-9-22(21)26(23)13-12-25-10-6-3-7-11-25/h4-5,8-9,14-16H,3,6-7,10-13,17H2,1-2H3/p+1