5-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentanoate Openeye Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pentanoate IUPAC Name: 5-oxo-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentanoate Traditional Name: 5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-keto-valerate Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C18H24N2O3/c21-17(9-4-10-18(22)23)20-14-12-19(13-15-20)11-5-8-16-6-2-1-3-7-16/h1-3,5-8H,4,9-15H2,(H,22,23)/b8-5+