1-cyclopentyl-4-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-cyclopentyl-4-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-cyclopentyl-4-[[2-methylsulfonyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-ium CAS Name: 1-cyclopentyl-4-[[2-methylsulfonyl-3-[[(2S)-2-oxolanyl]methyl]-4-imidazolyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-cyclopentyl-4-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-ium Traditional Name: 1-cyclopentyl-4-[[2-mesyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]-1,4-diazepan-1-ium Formula: C20H35N4O3S+ MolecularWeight: 411.5819

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CC2CCCO2)CN3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1C[C@@H]2CCCO2)CN3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C20H34N4O3S/c1-28(25,26)20-21-14-18(24(20)16-19-8-4-13-27-19)15-22-9-5-10-23(12-11-22)17-6-2-3-7-17/h14,17,19H,2-13,15-16H2,1H3/p+1/t19-/m0/s1