4-ethyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H27N5S+2 MolecularWeight: 369.52688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H25N5S/c1-2-24-15-21-25(20(24)26)16-23-12-10-22(11-13-23)14-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,15H,2,10-14,16H2,1H3/p+2