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

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanethioamide Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanethioamide CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanethioamide IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanethioamide Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazino)thiopropionamide Formula: C12H19N4S+ MolecularWeight: 251.37106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=S)N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CCC(=S)N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H18N4S/c13-11(17)4-6-15-7-9-16(10-8-15)12-3-1-2-5-14-12/h1-3,5H,4,6-10H2,(H2,13,17)/p+1