5-cyclopropyl-4-ethyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-ethyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-ethyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C14H25N4S+ MolecularWeight: 281.4401

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCCC2C)C3CC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCCC[C@H]2C)C3CC3

InChI

InChI=1S/C14H24N4S/c1-3-17-13(12-7-8-12)15-18(14(17)19)10-16-9-5-4-6-11(16)2/h11-12H,3-10H2,1-2H3/p+1/t11-/m1/s1