[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C24H26ClN4O4+ MolecularWeight: 469.94064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O4/c1-17-22(23(25)29(27-17)20-5-3-2-4-6-20)24(31)33-16-21(30)26-19-9-7-18(8-10-19)15-28-11-13-32-14-12-28/h2-10H,11-16H2,1H3,(H,26,30)/p+1