3-(4-methylpiperazin-1-yl)-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-(4-methylpiperazin-1-yl)-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-(4-methylpiperazin-1-yl)propane-1-sulfonic acid CAS Name: 2-hydroxy-3-(4-methyl-1-piperazinyl)-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-(4-methylpiperazin-1-yl)propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-(4-methylpiperazino)propane-1-sulfonic acid Formula: C8H18N2O4S MolecularWeight: 238.30452

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CS(=O)(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C8H18N2O4S/c1-9-2-4-10(5-3-9)6-8(11)7-15(12,13)14/h8,11H,2-7H2,1H3,(H,12,13,14)