2-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Openeye Name: 2-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide CAS Name: 2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Traditional Name: 2-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-1-ium-4-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-9-4-2-3-5-11(9)16-12-8-10(13(14)17)6-7-15-12/h6-9,11H,2-5H2,1H3,(H2,14,17)(H,15,16)/p+1/t9-,11+/m0/s1