5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H24ClN4OS+ MolecularWeight: 379.92736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)C4CC4

InChI

InChI=1S/C18H23ClN4OS/c19-15-6-2-3-7-16(15)24-12-17-20-22(13-21-10-4-1-5-11-21)18(25)23(17)14-8-9-14/h2-3,6-7,14H,1,4-5,8-13H2/p+1