3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol

Systemtic Name: 3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonyl-4-imidazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[[3-(cyclohexylmethyl)-2-mesyl-imidazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Formula: C20H36N3O3S+ MolecularWeight: 398.58314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCCCC3CCCO

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CC2CCCCC2)C[NH+]3CCCC[C@H]3CCCO

InChI

InChI=1S/C20H35N3O3S/c1-27(25,26)20-21-14-19(23(20)15-17-8-3-2-4-9-17)16-22-12-6-5-10-18(22)11-7-13-24/h14,17-18,24H,2-13,15-16H2,1H3/p+1/t18-/m0/s1