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

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-triazole-4-carboxamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NN(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2/c22-17-8-6-16(7-9-17)20(26-10-12-29-13-11-26)15-23-21(28)19-14-24-27(25-19)18-4-2-1-3-5-18/h1-9,14,20H,10-13,15H2,(H,23,28)/p+1/t20-/m0/s1