N-methyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Openeye Name: N-methyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide CAS Name: N-methyl-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Traditional Name: N-methyl-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Formula: C11H16N5O2S+ MolecularWeight: 282.34204

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O2S/c1-12-11(19)15-6-4-14(5-7-15)10-3-2-9(8-13-10)16(17)18/h2-3,8H,4-7H2,1H3,(H,12,19)/p+1