N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-nitrophenyl)carbamimidothioate

Systemtic Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-nitrophenyl)carbamimidothioate Openeye Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-nitrophenyl)carbamimidothioate CAS Name: N'-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-N-(4-nitrophenyl)carbamimidothioate IUPAC Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-nitrophenyl)carbamimidothioate Traditional Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-nitrophenyl)carbamimidothioate Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1N=C(NC2=CC=C(C=C2)[N+](=O)[O-])[S-])C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1/N=C(/NC2=CC=C(C=C2)[N+](=O)[O-])\[S-])C

InChI

InChI=1S/C14H20N4O2S/c1-10-4-3-5-11(2)17(10)16-14(21)15-12-6-8-13(9-7-12)18(19)20/h6-11H,3-5H2,1-2H3,(H2,15,16,21)/t10-,11-/m1/s1