[(3S)-1-methylpiperidin-1-ium-3-yl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-18-9-5-8-15(12-18)20-16(19)14(11-17)10-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,12H2,1H3/p+1/b14-10+/t15-/m0/s1