[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: [5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C25H33FN4+2 MolecularWeight: 408.554723

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H31FN4/c1-29-14-11-21(12-15-29)18-30(16-13-20-5-3-2-4-6-20)19-23-17-27-28-25(23)22-7-9-24(26)10-8-22/h2-10,17,21H,11-16,18-19H2,1H3,(H,27,28)/p+2