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

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanethioamide Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanethioamide CAS Name: 4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanethioamide IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanethioamide Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)thiobutyramide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=S)N)C2=CC=CC=[NH+]2

Isomeric SMILES

C1CN(CCN1CCCC(=S)N)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H20N4S/c14-12(18)4-3-7-16-8-10-17(11-9-16)13-5-1-2-6-15-13/h1-2,5-6H,3-4,7-11H2,(H2,14,18)/p+1