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

Systemtic Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-2-thiazolyl]-3-pyrazolyl]methyl-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: [4-carbethoxy-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-ethyl-(2-hydroxyethyl)ammonium Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-4-24(10-11-26)13-19-17(20(27)29-5-2)12-22-25(19)21-23-18(14-30-21)15-6-8-16(28-3)9-7-15/h6-9,12,14,26H,4-5,10-11,13H2,1-3H3/p+1