2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethanoate

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethanoate Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylacetate CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]acetate IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylacetate Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylacetate Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CC(=O)[O-]

InChI

InChI=1S/C11H15N3O4S/c15-11(16)9-19(17,18)14-7-5-13(6-8-14)10-3-1-2-4-12-10/h1-4H,5-9H2,(H,15,16)