ethyl 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H28N5O3S+ MolecularWeight: 442.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH+]4CCN(CC4)CCO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C22H27N5O3S/c1-2-30-21(29)18-14-23-27(20(18)15-26-10-8-25(9-11-26)12-13-28)22-24-19(16-31-22)17-6-4-3-5-7-17/h3-7,14,16,28H,2,8-13,15H2,1H3/p+1