1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H32FN4O+ MolecularWeight: 435.556883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C26H31FN4O/c1-4-31-19(3)25(18(2)29-31)17-30-13-11-20(12-14-30)26(32)28-24-10-6-8-22(16-24)21-7-5-9-23(27)15-21/h5-10,15-16,20H,4,11-14,17H2,1-3H3,(H,28,32)/p+1