(E)-3-phenyl-1-[4-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one tetrafluoroborate

Systemtic Name: (E)-3-phenyl-1-[4-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one tetrafluoroborate Openeye Name: (E)-1-(4-benzylpyridin-1-ium-1-yl)-3-phenyl-prop-2-en-1-one tetrafluoroborate CAS Name: (E)-3-phenyl-1-[4-(phenylmethyl)-1-pyridin-1-iumyl]-2-propen-1-one tetrafluoroborate IUPAC Name: (E)-1-(4-benzylpyridin-1-ium-1-yl)-3-phenylprop-2-en-1-one tetrafluoroborate Traditional Name: (E)-1-(4-benzylpyridin-1-ium-1-yl)-3-phenyl-prop-2-en-1-one tetrafluoroborate Formula: C21H18BF4NO MolecularWeight: 387.178333

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H18NO.BF4/c23-21(12-11-18-7-3-1-4-8-18)22-15-13-20(14-16-22)17-19-9-5-2-6-10-19;2-1(3,4)5/h1-16H,17H2;/q+1;-1/b12-11+;