2-methyl-5-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-methyl-5-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-methyl-5-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole CAS Name: 2-methyl-5-[[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-methyl-5-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-methyl-5-[[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-oxadiazole Formula: C18H23N6OS+ MolecularWeight: 371.47982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=NN=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C18H22N6OS/c1-14-19-21-17(25-14)13-26-18-22-20-16(12-23-10-6-3-7-11-23)24(18)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3/p+1