6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide

Systemtic Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Openeye Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide CAS Name: 6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinecarbothioamide IUPAC Name: 6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridine-3-carbothioamide Traditional Name: 6-(4-pyridin-1-ium-2-ylpiperazino)thionicotinamide Formula: C15H18N5S+ MolecularWeight: 300.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=CC=CC=[NH+]3

InChI

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