2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C17H25N4OS+ MolecularWeight: 333.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CC(OC(C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2C[C@@H](O[C@H](C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4OS/c1-4-20-16(15-8-6-5-7-9-15)18-21(17(20)23)12-19-10-13(2)22-14(3)11-19/h5-9,13-14H,4,10-12H2,1-3H3/p+1/t13-,14-/m0/s1