5-[(S)-(4-chlorophenyl)-(4-methylpiperazine-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-methylpiperazine-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-methylpiperazine-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-methyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(4-chlorophenyl)-(4-methylpiperazine-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-methylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C17H22ClN5OS+2 MolecularWeight: 379.90748

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5OS/c1-11-19-17-23(20-11)16(24)15(25-17)14(12-3-5-13(18)6-4-12)22-9-7-21(2)8-10-22/h3-6,14,24H,7-10H2,1-2H3/p+2/t14-/m0/s1