3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropanoate

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropanoate Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropanoate CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propanoate IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropanoate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropionate Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c16-12(17)4-10-20(18,19)15-8-6-14(7-9-15)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)