1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-ethyl-5-pyrimidinyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H28FN4O+ MolecularWeight: 419.514423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CCC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN4O/c1-2-24-27-15-18(16-28-24)17-30-11-9-19(10-12-30)25(31)29-23-8-4-6-21(14-23)20-5-3-7-22(26)13-20/h3-8,13-16,19H,2,9-12,17H2,1H3,(H,29,31)/p+1