[(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H20NO2+ MolecularWeight: 246.3248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C15H19NO2/c1-16-11-5-8-14(12-16)18-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3/p+1/b10-9+/t14-/m0/s1