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

Systemtic Name: ethyl 5-(2-morpholin-4-ium-4-ylethanoylamino)-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(2-morpholin-4-ium-4-ylacetyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H23N4O4+ MolecularWeight: 359.39962

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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+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H22N4O4/c1-2-26-18(24)15-12-19-22(14-6-4-3-5-7-14)17(15)20-16(23)13-21-8-10-25-11-9-21/h3-7,12H,2,8-11,13H2,1H3,(H,20,23)/p+1