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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H24N4S/c1-3-15-11-7-8-12-20(15)13-21-17(22)19(2)16(18-21)14-9-5-4-6-10-14/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3/p+1/t15-/m0/s1