N-[4-(2-fluoranylphenoxy)phenyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H32FN4O2+ MolecularWeight: 451.556283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C26H31FN4O2/c1-3-14-31-18-21(19(2)29-31)17-30-15-12-20(13-16-30)26(32)28-22-8-10-23(11-9-22)33-25-7-5-4-6-24(25)27/h4-11,18,20H,3,12-17H2,1-2H3,(H,28,32)/p+1