2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbothioamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)thionicotinamide Formula: C15H18N5S+ MolecularWeight: 300.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C(=S)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C(=S)N

InChI

InChI=1S/C15H17N5S/c16-14(21)12-4-3-7-18-15(12)20-10-8-19(9-11-20)13-5-1-2-6-17-13/h1-7H,8-11H2,(H2,16,21)/p+1