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

Systemtic Name: 5-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(R)-(3,4-dimethoxyphenyl)-(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(R)-(3,4-dimethoxyphenyl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C20H29N5O3S+2 MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC(=C(C=C2)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC(=C(C=C2)OC)OC)C3=C(N4C(=NC(=N4)C)S3)O

InChI

InChI=1S/C20H27N5O3S/c1-5-23-8-10-24(11-9-23)17(14-6-7-15(27-3)16(12-14)28-4)18-19(26)25-20(29-18)21-13(2)22-25/h6-7,12,17,26H,5,8-11H2,1-4H3/p+2/t17-/m1/s1