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

Systemtic Name: [(E)-3-(furan-2-yl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [(E)-3-(2-furyl)allyl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [(E)-3-(2-furanyl)prop-2-enyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [(E)-3-(furan-2-yl)prop-2-enyl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [(E)-3-(2-furyl)allyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC=CC3=CC=CO3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]C/C=C/C3=CC=CO3

InChI

InChI=1S/C16H20N4O/c1(6-15-7-3-12-21-15)8-17-14-5-2-11-20(13-14)16-18-9-4-10-19-16/h1,3-4,6-7,9-10,12,14,17H,2,5,8,11,13H2/p+1/b6-1+/t14-/m0/s1