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

Systemtic Name: 4-ethyl-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H27N5OS+2 MolecularWeight: 349.49418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H25N5OS/c1-3-21-13-18-22(17(21)24)14-20-10-8-19(9-11-20)12-15-4-6-16(23-2)7-5-15/h4-7,13H,3,8-12,14H2,1-2H3/p+2