3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=NC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=NC=CC=N2

InChI

InChI=1S/C11H18N4O3S/c16-19(17,18)10-2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-10H2,(H,16,17,18)