N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29FN4O/c1-28(25(31)22-17-27-30(19-22)24-5-3-2-4-6-24)18-21-12-15-29(16-13-21)14-11-20-7-9-23(26)10-8-20/h2-10,17,19,21H,11-16,18H2,1H3/p+1