[4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=C(C=NN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+](CCO)CC1=C(C=NN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H24N4O3S/c1-3-23(10-11-25)13-18-16(19(26)27-4-2)12-21-24(18)20-22-17(14-28-20)15-8-6-5-7-9-15/h5-9,12,14,25H,3-4,10-11,13H2,1-2H3/p+1