ethyl 1-phenyl-5-(2-piperidin-1-ium-1-ylethanoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(2-piperidin-1-ium-1-ylethanoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]pyrazole-4-carboxylate CAS Name: 5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O3/c1-2-26-19(25)16-13-20-23(15-9-5-3-6-10-15)18(16)21-17(24)14-22-11-7-4-8-12-22/h3,5-6,9-10,13H,2,4,7-8,11-12,14H2,1H3,(H,21,24)/p+1