[(E)-3-(4-fluorophenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [(E)-3-(4-fluorophenyl)allyl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [(E)-3-(4-fluorophenyl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [(E)-3-(4-fluorophenyl)allyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C18H22FN4+ MolecularWeight: 313.392483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC=CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]C/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4/c19-16-8-6-15(7-9-16)4-1-10-20-17-5-2-13-23(14-17)18-21-11-3-12-22-18/h1,3-4,6-9,11-12,17,20H,2,5,10,13-14H2/p+1/b4-1+/t17-/m0/s1