1-(4-methylphenyl)sulfonyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzimidazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzimidazole Openeye Name: 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-(p-tolylsulfonyl)benzimidazole CAS Name: 1-(4-methylphenyl)sulfonyl-2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]benzimidazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzimidazole Traditional Name: 2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-tosyl-benzimidazole Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N3O2S/c1-16-9-11-18(12-10-16)27(25,26)24-20-8-4-3-7-19(20)22-21(24)15-23-13-5-6-17(2)14-23/h3-4,7-12,17H,5-6,13-15H2,1-2H3/p+1/t17-/m1/s1