1-[(2-fluorophenyl)methyl]-N-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]piperidin-1-ium-4-carboxamide Formula: C21H34FN2O2+ MolecularWeight: 365.505263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2F

Isomeric SMILES

C[C@H](CCCC(C)(C)O)NC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2F

InChI

InChI=1S/C21H33FN2O2/c1-16(7-6-12-21(2,3)26)23-20(25)17-10-13-24(14-11-17)15-18-8-4-5-9-19(18)22/h4-5,8-9,16-17,26H,6-7,10-15H2,1-3H3,(H,23,25)/p+1/t16-/m1/s1