(2S)-2-[[(E)-3-phenylprop-2-enoxy]methyl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-[[(E)-3-phenylprop-2-enoxy]methyl]pyrrolidin-1-ium Openeye Name: (2S)-2-[[(E)-cinnamyl]oxymethyl]pyrrolidin-1-ium CAS Name: (2S)-2-[[(E)-3-phenylprop-2-enoxy]methyl]pyrrolidin-1-ium IUPAC Name: (2S)-2-[[(E)-3-phenylprop-2-enoxy]methyl]pyrrolidin-1-ium Traditional Name: (2S)-2-[[(E)-cinnamyl]oxymethyl]pyrrolidin-1-ium Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)COCC=CC2=CC=CC=C2

Isomeric SMILES

C1C[C@H]([NH2+]C1)COC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c1-2-6-13(7-3-1)8-5-11-16-12-14-9-4-10-15-14/h1-3,5-8,14-15H,4,9-12H2/p+1/b8-5+/t14-/m0/s1