2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-4-carbothioamide

Systemtic Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-4-carbothioamide Openeye Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-4-carbothioamide CAS Name: 2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-4-pyridinecarbothioamide IUPAC Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-4-carbothioamide Traditional Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]thioisonicotinamide Formula: C13H21N4S+ MolecularWeight: 265.39764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC=CC(=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H20N4S/c1-16-7-4-11(5-8-16)17(2)12-9-10(13(14)18)3-6-15-12/h3,6,9,11H,4-5,7-8H2,1-2H3,(H2,14,18)/p+1