4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butane-1-sulfonate Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3S/c17-20(18,19)11-2-1-6-15-7-9-16(10-8-15)12-13-4-3-5-14-12/h3-5H,1-2,6-11H2,(H,17,18,19)