N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-pyrazole-4-carboxamide Formula: C29H30FN4O2+ MolecularWeight: 485.572503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H29FN4O2/c30-25-13-11-23(12-14-25)27(33-15-17-36-18-16-33)19-31-29(35)26-21-34(20-22-7-3-1-4-8-22)32-28(26)24-9-5-2-6-10-24/h1-14,21,27H,15-20H2,(H,31,35)/p+1/t27-/m0/s1