N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-yl-pyrazol-1-ium-1-yl]-4-oxidanyl-N-phenyl-butanamide

Systemtic Name: N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-yl-pyrazol-1-ium-1-yl]-4-oxidanyl-N-phenyl-butanamide Openeye Name: N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-(4-pyridyl)pyrazol-1-ium-1-yl]-4-hydroxy-N-phenyl-butanamide CAS Name: N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-yl-1-pyrazol-1-iumyl]-4-hydroxy-N-phenylbutanamide IUPAC Name: N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-1-ium-1-yl]-4-hydroxy-N-phenylbutanamide Traditional Name: N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-(4-pyridyl)pyrazol-1-ium-1-yl]-4-hydroxy-N-phenyl-butyramide Formula: C26H26FN4O3+ MolecularWeight: 461.508043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)CCCO)[N+]2(C=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4)CCO

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)CCCO)[N+]2(C=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=NC=C4)CCO

InChI

InChI=1S/C26H26FN4O3/c27-22-10-8-21(9-11-22)26-24(20-12-14-28-15-13-20)19-31(29-26,16-18-33)30(25(34)7-4-17-32)23-5-2-1-3-6-23/h1-3,5-6,8-15,19,32-33H,4,7,16-18H2/q+1