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

Systemtic Name: 4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butanoate IUPAC Name: 4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butanoate Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c20-16(8-9-17(21)22)19-13-11-18(12-14-19)10-4-7-15-5-2-1-3-6-15/h1-7H,8-14H2,(H,21,22)/b7-4+