1-[(3-ethanoylphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethanoylphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H28FN2O2+ MolecularWeight: 431.521823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H27FN2O2/c1-19(31)22-6-2-5-20(15-22)18-30-13-11-21(12-14-30)27(32)29-26-10-4-8-24(17-26)23-7-3-9-25(28)16-23/h2-10,15-17,21H,11-14,18H2,1H3,(H,29,32)/p+1