5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Systemtic Name: 5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(S)-(4-chlorophenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C18H24ClN5O2S+2 MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Cl)[NH+]4CC[NH+](CC4)CCO)O

Isomeric SMILES

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=C(C=C3)Cl)[NH+]4CC[NH+](CC4)CCO)O

InChI

InChI=1S/C18H22ClN5O2S/c1-12-20-18-24(21-12)17(26)16(27-18)15(13-2-4-14(19)5-3-13)23-8-6-22(7-9-23)10-11-25/h2-5,15,25-26H,6-11H2,1H3/p+2/t15-/m0/s1