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

Systemtic Name: (2R)-3-[4-(3-diazanyl-3-oxidanylidene-propanoyl)piperazin-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonate Openeye Name: (2R)-3-[4-(3-hydrazino-3-oxo-propanoyl)piperazin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate CAS Name: (2R)-3-[4-(3-hydrazinyl-1,3-dioxopropyl)-1-piperazin-1-iumyl]-2-hydroxy-1-propanesulfonate IUPAC Name: (2R)-3-[4-(3-hydrazinyl-3-oxopropanoyl)piperazin-1-ium-1-yl]-2-hydroxypropane-1-sulfonate Traditional Name: (2R)-3-[4-(3-hydrazino-3-keto-propanoyl)piperazin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonate Formula: C10H20N4O6S MolecularWeight: 324.354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N4O6S/c11-12-9(16)5-10(17)14-3-1-13(2-4-14)6-8(15)7-21(18,19)20/h8,15H,1-7,11H2,(H,12,16)(H,18,19,20)/t8-/m1/s1