3-(4-phenylpiperazin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)propane-1-sulfonate Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c16-19(17,18)12-4-7-14-8-10-15(11-9-14)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H,16,17,18)