2-[(2S)-2-methylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide Openeye Name: 2-[(2S)-2-methyl-1-piperidyl]pyridin-1-ium-4-carbothioamide CAS Name: 2-[(2S)-2-methyl-1-piperidinyl]-4-pyridin-1-iumcarbothioamide IUPAC Name: 2-[(2S)-2-methylpiperidin-1-yl]pyridin-1-ium-4-carbothioamide Traditional Name: 2-[(2S)-2-methylpiperidino]pyridin-1-ium-4-carbothioamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=[NH+]C=CC(=C2)C(=S)N

Isomeric SMILES

C[C@H]1CCCCN1C2=[NH+]C=CC(=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c1-9-4-2-3-7-15(9)11-8-10(12(13)16)5-6-14-11/h5-6,8-9H,2-4,7H2,1H3,(H2,13,16)/p+1/t9-/m0/s1