2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C11H21N4S+ MolecularWeight: 241.37624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CN2C(=S)N(C=N2)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CN2C(=S)N(C=N2)C)C

InChI

InChI=1S/C11H20N4S/c1-9-4-10(2)6-14(5-9)8-15-11(16)13(3)7-12-15/h7,9-10H,4-6,8H2,1-3H3/p+1/t9-,10-/m0/s1