2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Openeye Name: 2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide CAS Name: 2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Traditional Name: 2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3S/c1-9-4-3-5-12(10(9)2)17-13-8-11(14(15)18)6-7-16-13/h6-10,12H,3-5H2,1-2H3,(H2,15,18)(H,16,17)/p+1/t9-,10-,12-/m1/s1