(3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C14H18F3N2O+ MolecularWeight: 287.30073

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H17F3N2O/c1-9-2-3-10(8-18-9)13(20)19-12-6-4-11(5-7-12)14(15,16)17/h4-7,9-10,18H,2-3,8H2,1H3,(H,19,20)/p+1/t9-,10-/m0/s1