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

Systemtic Name: ethyl 5-[(4-methanoylpiperazin-1-ium-1-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-formylpiperazin-1-ium-1-yl)methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[(4-formyl-1-piperazin-1-iumyl)methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-formylpiperazin-1-ium-1-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(4-formylpiperazin-1-ium-1-yl)methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N5O3S+ MolecularWeight: 426.51196

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-2-29-20(28)17-12-22-26(19(17)13-24-8-10-25(15-27)11-9-24)21-23-18(14-30-21)16-6-4-3-5-7-16/h3-7,12,14-15H,2,8-11,13H2,1H3/p+1