N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide

Systemtic Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide Openeye Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide CAS Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-3-(1-pyrazolyl)benzamide IUPAC Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-ylbenzamide Traditional Name: N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-benzamide 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=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

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