ethyl 5-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(3S)-3-aminocarbonylpiperidin-1-ium-1-yl]methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[[(3S)-3-carbamoyl-1-piperidin-1-iumyl]methyl]-1-(2-chlorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[[(3S)-3-carbamoylpiperidin-1-ium-1-yl]methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H24ClN4O3+ MolecularWeight: 391.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C19H23ClN4O3/c1-2-27-19(26)14-10-22-24(16-8-4-3-7-15(16)20)17(14)12-23-9-5-6-13(11-23)18(21)25/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H2,21,25)/p+1/t13-/m0/s1