1-[(4-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide Formula: C18H28FN2O+ MolecularWeight: 307.426123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)F

Isomeric SMILES

CCC[C@H](C)NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H27FN2O/c1-3-4-14(2)20-18(22)16-9-11-21(12-10-16)13-15-5-7-17(19)8-6-15/h5-8,14,16H,3-4,9-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1