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

Systemtic Name: ethyl 5-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylate CAS Name: 5-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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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+]4CCC(CC4)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-2-30-21(29)17-12-24-27(19(17)13-26-10-8-16(9-11-26)20(23)28)22-25-18(14-31-22)15-6-4-3-5-7-15/h3-7,12,14,16H,2,8-11,13H2,1H3,(H2,23,28)/p+1