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

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propane-1-sulfonate Formula: C12H20N3O3S+ MolecularWeight: 286.3705

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CC[NH+]1CCCS(=O)(=O)[O-])C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H19N3O3S/c16-19(17,18)11-3-6-14-7-9-15(10-8-14)12-4-1-2-5-13-12/h1-2,4-5H,3,6-11H2,(H,16,17,18)/p+1