[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C24H31FN4O+2 MolecularWeight: 410.527543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

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