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

Systemtic Name: 2-methyl-5-[(S)-phenyl-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(4-benzylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 2-methyl-5-[(S)-phenyl-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(4-benzylpiperazine-1,4-diium-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(S)-(4-benzylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C23H27N5OS+2 MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(SC2=N1)C(C3=CC=CC=C3)[NH+]4CC[NH+](CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=CC=C3)[NH+]4CC[NH+](CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C23H25N5OS/c1-17-24-23-28(25-17)22(29)21(30-23)20(19-10-6-3-7-11-19)27-14-12-26(13-15-27)16-18-8-4-2-5-9-18/h2-11,20,29H,12-16H2,1H3/p+2/t20-/m0/s1