(4-methylsulfonylphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C17H25N2O4S+ MolecularWeight: 353.4564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3CCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C[C@H]3CCCO3

InChI

InChI=1S/C17H24N2O4S/c1-24(21,22)16-6-4-14(5-7-16)17(20)19-10-8-18(9-11-19)13-15-3-2-12-23-15/h4-7,15H,2-3,8-13H2,1H3/p+1/t15-/m1/s1