5-[(S)-(4-bromophenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Systemtic Name: 5-[(S)-(4-bromophenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(4-bromophenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(S)-(4-bromophenyl)-(4-morpholin-4-iumyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(4-bromophenyl)-morpholin-4-ium-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(S)-(4-bromophenyl)-morpholin-4-ium-4-yl-methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C16H18BrN4O2S+ MolecularWeight: 410.30872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)[NH+]4CCOCC4)O

Isomeric SMILES

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=C(C=C3)Br)[NH+]4CCOCC4)O

InChI

InChI=1S/C16H17BrN4O2S/c1-10-18-16-21(19-10)15(22)14(24-16)13(20-6-8-23-9-7-20)11-2-4-12(17)5-3-11/h2-5,13,22H,6-9H2,1H3/p+1/t13-/m0/s1