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

Systemtic Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C14H19N4S+ MolecularWeight: 275.39246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCCC2C3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C14H18N4S/c1-16-10-15-18(14(16)19)11-17-9-5-8-13(17)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/p+1/t13-/m0/s1