N-(2-chloranyl-5-nitro-phenyl)-N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate Openeye Name: N-(2-chloro-5-nitro-phenyl)-N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate CAS Name: N-(2-chloro-5-nitrophenyl)-N'-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]carbamimidothioate IUPAC Name: N-(2-chloro-5-nitrophenyl)-N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate Traditional Name: N-(2-chloro-5-nitro-phenyl)-N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]carbamimidothioate Formula: C14H19ClN4O2S MolecularWeight: 342.84426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O2S/c1-9-4-3-5-10(2)18(9)17-14(22)16-13-8-11(19(20)21)6-7-12(13)15/h6-10H,3-5H2,1-2H3,(H2,16,17,22)/t9-,10-/m1/s1