phenethyl-[(E)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]prop-2-enylidene]azanium

Systemtic Name: phenethyl-[(E)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]prop-2-enylidene]azanium Openeye Name: phenethyl-[(E)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]prop-2-enylidene]ammonium CAS Name: phenethyl-[(E)-3-[[2-(trifluoromethyl)-4-pyrimidinyl]amino]prop-2-enylidene]ammonium IUPAC Name: phenethyl-[(E)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]prop-2-enylidene]azanium Traditional Name: phenethyl-[(E)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]prop-2-enylidene]ammonium Formula: C16H16F3N4+ MolecularWeight: 321.32025

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+]=CC=CNC2=NC(=NC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+]=C/C=C/NC2=NC(=NC=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4/c17-16(18,19)15-22-12-8-14(23-15)21-10-4-9-20-11-7-13-5-2-1-3-6-13/h1-6,8-10,12H,7,11H2,(H,21,22,23)/p+1/b10-4+,20-9?