[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C23H29FN4O2+2 MolecularWeight: 412.500363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN4O2/c1-18-22(17-25-11-12-27-13-15-29-16-14-27)23(30-21-9-7-19(24)8-10-21)28(26-18)20-5-3-2-4-6-20/h2-10,25H,11-17H2,1H3/p+2