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

Systemtic Name: ethyl 5-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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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+]4CCCC(C4)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C21H24N4O3S/c1-2-28-20(27)17-11-22-25(19(17)13-24-10-6-9-16(26)12-24)21-23-18(14-29-21)15-7-4-3-5-8-15/h3-5,7-8,11,14,16,26H,2,6,9-10,12-13H2,1H3/p+1/t16-/m0/s1