[(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-[4-(trifluoromethyl)phenyl]methanone

Systemtic Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-[4-(trifluoromethyl)phenyl]methanone Openeye Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-[4-(trifluoromethyl)phenyl]methanone CAS Name: [(3S)-1-cyclobutyl-3-piperidin-1-iumyl]-[4-(trifluoromethyl)phenyl]methanone IUPAC Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-[4-(trifluoromethyl)phenyl]methanone Traditional Name: [(3S)-1-cyclobutylpiperidin-1-ium-3-yl]-[4-(trifluoromethyl)phenyl]methanone Formula: C17H21F3NO+ MolecularWeight: 312.34995

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H20F3NO/c18-17(19,20)14-8-6-12(7-9-14)16(22)13-3-2-10-21(11-13)15-4-1-5-15/h6-9,13,15H,1-5,10-11H2/p+1/t13-/m0/s1