2-morpholin-4-ium-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate

Systemtic Name: 2-morpholin-4-ium-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate Openeye Name: 5-[[(E)-cinnamyl]amino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 2-(4-morpholin-4-iumyl)-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate IUPAC Name: 2-morpholin-4-ium-4-yl-5-[[(E)-3-phenylprop-2-enyl]amino]benzoate Traditional Name: 5-[[(E)-cinnamyl]amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2=C(C=C(C=C2)NCC=CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C2=C(C=C(C=C2)NC/C=C/C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c23-20(24)18-15-17(8-9-19(18)22-11-13-25-14-12-22)21-10-4-7-16-5-2-1-3-6-16/h1-9,15,21H,10-14H2,(H,23,24)/b7-4+