(3S)-N-(2-fluoranyl-5-methyl-phenyl)-1-(2-methylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-fluoranyl-5-methyl-phenyl)-1-(2-methylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-fluoro-5-methyl-phenyl)-1-isobutyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-fluoro-5-methylphenyl)-1-(2-methylpropyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-fluoro-5-methylphenyl)-1-(2-methylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-fluoro-5-methyl-phenyl)-1-isobutyl-piperidin-1-ium-3-carboxamide Formula: C17H26FN2O+ MolecularWeight: 293.399543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C2CCC[NH+](C2)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)[C@H]2CCC[NH+](C2)CC(C)C

InChI

InChI=1S/C17H25FN2O/c1-12(2)10-20-8-4-5-14(11-20)17(21)19-16-9-13(3)6-7-15(16)18/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,19,21)/p+1/t14-/m0/s1