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

Systemtic Name: 4-[[[(E)-3-phenylprop-2-enyl]azaniumyl]methyl]benzoate Openeye Name: 4-[[[(E)-cinnamyl]ammonio]methyl]benzoate CAS Name: 4-[[[(E)-3-phenylprop-2-enyl]ammonio]methyl]benzoate IUPAC Name: 4-[[[(E)-3-phenylprop-2-enyl]azaniumyl]methyl]benzoate Traditional Name: 4-[[[(E)-cinnamyl]ammonio]methyl]benzoate Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[NH2+]CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H17NO2/c19-17(20)16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11,18H,12-13H2,(H,19,20)/b7-4+