5-ethyl-1-methoxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 5-ethyl-1-methoxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-benzyl-5-ethyl-1-methoxy-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: 5-ethyl-1-methoxy-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 1-benzyl-5-ethyl-1-methoxy-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 1-benzyl-5-ethyl-1-methoxy-3,6-dihydro-2H-pyridin-1-ium; 2,2,2-trifluoroacetate Formula: C17H22F3NO3 MolecularWeight: 345.35669

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCC[N+](C1)(CC2=CC=CC=C2)OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCC1=CCC[N+](C1)(CC2=CC=CC=C2)OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H22NO.C2HF3O2/c1-3-14-10-7-11-16(12-14,17-2)13-15-8-5-4-6-9-15;3-2(4,5)1(6)7/h4-6,8-10H,3,7,11-13H2,1-2H3;(H,6,7)/q+1;/p-1