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

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)-[[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: (1-ethylpiperidin-1-ium-4-yl)-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: (1-ethyl-4-piperidin-1-iumyl)-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C24H31FN4O+2 MolecularWeight: 410.527543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=C(N(N=C2C)C3=CC=CC=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=C(N(N=C2C)C3=CC=CC=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H29FN4O/c1-3-28-15-13-20(14-16-28)26-17-23-18(2)27-29(21-7-5-4-6-8-21)24(23)30-22-11-9-19(25)10-12-22/h4-12,20,26H,3,13-17H2,1-2H3/p+2