[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C24H31FN4O2+2 MolecularWeight: 426.526943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CCC[NH+]2CCOCC2)OC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]CCC[NH+]2CCOCC2)OC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H29FN4O2/c1-19-23(18-26-12-5-13-28-14-16-30-17-15-28)24(31-22-10-8-20(25)9-11-22)29(27-19)21-6-3-2-4-7-21/h2-4,6-11,26H,5,12-18H2,1H3/p+2