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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbutanoate Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbutanoate CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]butanoate IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbutanoate Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylbutyrate Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c17-13(18)5-3-11-21(19,20)16-9-7-15(8-10-16)12-4-1-2-6-14-12/h1-2,4,6H,3,5,7-11H2,(H,17,18)