N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-3-pyrazolyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[5-(2,5-dimethylphenyl)-2-phenylpyrazol-3-yl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[5-(2,5-dimethylphenyl)-2-phenyl-pyrazol-3-yl]-2-morpholin-4-ium-4-yl-acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=C2)NC(=O)C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-17-8-9-18(2)20(14-17)21-15-22(27(25-21)19-6-4-3-5-7-19)24-23(28)16-26-10-12-29-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,28)/p+1