1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-[(1S)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O/c1-16(18-5-3-2-4-6-18)23-21(25)19-11-13-24(14-12-19)15-17-7-9-20(22)10-8-17/h2-10,16,19H,11-15H2,1H3,(H,23,25)/p+1/t16-/m0/s1