N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N,N-diethyl-1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C27H34FN4O+ MolecularWeight: 449.583463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H33FN4O/c1-4-31(5-2)27(33)22-14-16-30(17-15-22)18-23-19-32(25-12-6-20(3)7-13-25)29-26(23)21-8-10-24(28)11-9-21/h6-13,19,22H,4-5,14-18H2,1-3H3/p+1