(2R)-3-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2R)-3-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2R)-3-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate CAS Name: (2R)-3-[4-(2-chloro-1-oxoethyl)-1-piperazin-1-iumyl]-2-hydroxy-1-propanesulfonate IUPAC Name: (2R)-3-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-hydroxypropane-1-sulfonate Traditional Name: (2R)-3-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate Formula: C9H17ClN2O5S MolecularWeight: 300.75968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CS(=O)(=O)[O-])O)C(=O)CCl

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CS(=O)(=O)[O-])O)C(=O)CCl

InChI

InChI=1S/C9H17ClN2O5S/c10-5-9(14)12-3-1-11(2-4-12)6-8(13)7-18(15,16)17/h8,13H,1-7H2,(H,15,16,17)/t8-/m1/s1