5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: 5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate Formula: C15H16F3NO2 MolecularWeight: 299.28825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC[N+](=C1)CC2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CCC[N+](=C1)CC2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H16N.C2HF3O2/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;3-2(4,5)1(6)7/h2-4,6-8,10H,5,9,11H2,1H3;(H,6,7)/q+1;/p-1