N,N-dimethyl-3-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzenesulfonamide Traditional Name: N,N-dimethyl-3-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzenesulfonamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O4S/c1-19(2)26(23,24)16-6-3-5-15(13-16)14-20-8-10-21(11-9-20)18(22)17-7-4-12-25-17/h3,5-6,13,17H,4,7-12,14H2,1-2H3/p+1/t17-/m1/s1