4-[[(E)-3-phenylprop-2-enyl]azaniumyl]butanoate

Systemtic Name: 4-[[(E)-3-phenylprop-2-enyl]azaniumyl]butanoate Openeye Name: 4-[[(E)-cinnamyl]ammonio]butanoate CAS Name: 4-[[(E)-3-phenylprop-2-enyl]ammonio]butanoate IUPAC Name: 4-[[(E)-3-phenylprop-2-enyl]azaniumyl]butanoate Traditional Name: 4-[[(E)-cinnamyl]ammonio]butyrate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC[NH2+]CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C13H17NO2/c15-13(16)9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-4,6-8,14H,5,9-11H2,(H,15,16)/b8-4+