4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-isobutyl-5-morpholino-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methylpropyl)-5-(4-morpholinyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylpropyl)-5-morpholin-4-yl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-isobutyl-5-morpholino-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H33N7OS+2 MolecularWeight: 419.58732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)N4CCOCC4

InChI

InChI=1S/C20H31N7OS/c1-17(2)15-26-19(25-11-13-28-14-12-25)22-27(20(26)29)16-23-7-9-24(10-8-23)18-5-3-4-6-21-18/h3-6,17H,7-16H2,1-2H3/p+2