2-[(3S)-1-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H29N5O2S/c1-15(2)12-26-17(11-22-21(26)29(3,27)28)14-25-10-6-7-16(13-25)20-23-18-8-4-5-9-19(18)24-20/h4-5,8-9,11,15-16H,6-7,10,12-14H2,1-3H3,(H,23,24)/p+1/t16-/m0/s1