1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluoranylphenoxy)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluoranylphenoxy)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-ethyl-5-pyrimidinyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H28FN4O2+ MolecularWeight: 435.513823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C25H27FN4O2/c1-2-24-27-15-18(16-28-24)17-30-13-11-19(12-14-30)25(31)29-20-7-9-21(10-8-20)32-23-6-4-3-5-22(23)26/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,29,31)/p+1