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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butane-1-sulfonate Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S/c17-20(18,19)12-4-3-7-15-8-10-16(11-9-15)13-5-1-2-6-14-13/h1-2,5-6H,3-4,7-12H2,(H,17,18,19)/p+1