4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C14H20N5S+ MolecularWeight: 290.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C14H19N5S/c1-16-11-15-19(14(16)20)12-17-7-9-18(10-8-17)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3/p+1