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

Systemtic Name: 5-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(R)-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-(3-methoxyphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-(3-methoxyphenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C18H25N5O3S+2 MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=C(N3C(=NC=N3)S2)O)[NH+]4CC[NH+](CC4)CCO

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](C2=C(N3C(=NC=N3)S2)O)[NH+]4CC[NH+](CC4)CCO

InChI

InChI=1S/C18H23N5O3S/c1-26-14-4-2-3-13(11-14)15(22-7-5-21(6-8-22)9-10-24)16-17(25)23-18(27-16)19-12-20-23/h2-4,11-12,15,24-25H,5-10H2,1H3/p+2/t15-/m1/s1