2-(2-pyrrolidin-1-ium-1-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole

Systemtic Name: 2-(2-pyrrolidin-1-ium-1-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-benzimidazole CAS Name: 2-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole IUPAC Name: 2-(2-pyrrolidin-1-ium-1-ylethyl)-1-(2,4,6-trimethylphenyl)sulfonylbenzimidazole Traditional Name: 1-mesitylsulfonyl-2-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazole Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C3=CC=CC=C3N=C2CC[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C3=CC=CC=C3N=C2CC[NH+]4CCCC4)C

InChI

InChI=1S/C22H27N3O2S/c1-16-14-17(2)22(18(3)15-16)28(26,27)25-20-9-5-4-8-19(20)23-21(25)10-13-24-11-6-7-12-24/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/p+1