N-(4-methylpiperazin-4-ium-1-yl)carbothioylpyridine-3-carboxamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)carbothioylpyridine-3-carboxamide Openeye Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)pyridine-3-carboxamide CAS Name: N-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)pyridine-3-carboxamide Traditional Name: N-(4-methylpiperazin-4-ium-1-carbothioyl)nicotinamide Formula: C12H17N4OS+ MolecularWeight: 265.35458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H16N4OS/c1-15-5-7-16(8-6-15)12(18)14-11(17)10-3-2-4-13-9-10/h2-4,9H,5-8H2,1H3,(H,14,17,18)/p+1