N-[2-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(2-fluoro-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(2-fluoro-5-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C22H30FN4O2+ MolecularWeight: 401.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)F)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCCC4

InChI

InChI=1S/C22H29FN4O2/c1-29-19-6-7-20(23)17(14-19)15-26-12-9-18(10-13-26)27-21(8-11-24-27)25-22(28)16-4-2-3-5-16/h6-8,11,14,16,18H,2-5,9-10,12-13,15H2,1H3,(H,25,28)/p+1