6-methyl-2-[(2R)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[(2R)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1H-benzimidazole Openeye Name: 2-[(2R)-1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]-6-methyl-1H-benzimidazole CAS Name: 6-methyl-2-[(2R)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-pyrrolidin-1-iumyl]-1H-benzimidazole IUPAC Name: 6-methyl-2-[(2R)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-1H-benzimidazole Traditional Name: 2-[(2R)-1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]pyrrolidin-1-ium-2-yl]-6-methyl-1H-benzimidazole Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCC[NH+]3CC4=CN=C(N4CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCC[NH+]3CC4=CN=C(N4CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H29N5O2S/c1-14(2)12-26-16(11-22-21(26)29(4,27)28)13-25-9-5-6-19(25)20-23-17-8-7-15(3)10-18(17)24-20/h7-8,10-11,14,19H,5-6,9,12-13H2,1-4H3,(H,23,24)/p+1/t19-/m1/s1