3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-piperidin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-4-yl]-1H-benzimidazol-2-one Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H27N3O3S/c1-16-7-8-17(2)21(15-16)29(27,28)14-13-24-11-9-18(10-12-24)25-20-6-4-3-5-19(20)23-22(25)26/h3-8,15,18H,9-14H2,1-2H3,(H,23,26)/p+1