ethyl 4-[(R)-(6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(R)-(6-oxidanyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(R)-(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(R)-(6-hydroxy-5-thiazolo[3,2-b][1,2,4]triazolyl)-(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(R)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(R)-(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H28N5O6S+ MolecularWeight: 478.54192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(N4C(=NC=N4)S3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C2=CC(=C(C(=C2)OC)OC)OC)C3=C(N4C(=NC=N4)S3)O

InChI

InChI=1S/C21H27N5O6S/c1-5-32-21(28)25-8-6-24(7-9-25)16(18-19(27)26-20(33-18)22-12-23-26)13-10-14(29-2)17(31-4)15(11-13)30-3/h10-12,16,27H,5-9H2,1-4H3/p+1/t16-/m1/s1