4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-morpholino-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-(4-morpholinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-morpholino-1,2,4-triazole-3-thione Formula: C19H28FN6OS+ MolecularWeight: 407.528623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N4CCOCC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N4CCOCC4

InChI

InChI=1S/C19H27FN6OS/c1-2-25-18(24-11-13-27-14-12-24)21-26(19(25)28)15-22-7-9-23(10-8-22)17-5-3-16(20)4-6-17/h3-6H,2,7-15H2,1H3/p+1