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(2S)-2-(2-azanyl-3,5-dicyano-6-piperidin-1-yl-pyridin-1-ium-4-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide
(2S)-2-(2-azanyl-3,5-dicyano-6-piperidin-1-yl-pyridin-1-ium-4-yl)-2-cyano-N-(4-methylphenyl)ethanethioamide
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Canonical SMILES:
CC1=CC=C(C=C1)NC(=S)C(C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N
Isomeric SMILES
CC1=CC=C(C=C1)NC(=S)[C@H](C#N)C2=C(C(=[NH+]C(=C2C#N)N)N3CCCCC3)C#N
InChI
InChI=1S/C22H21N7S/c1-14-5-7-15(8-6-14)27-22(30)18(13-25)19-16(11-23)20(26)28-21(17(19)12-24)29-9-3-2-4-10-29/h5-8,18H,2-4,9-10H2,1H3,(H2,26,28)(H,27,30)/p+1/t18-/m1/s1
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