(3S)-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]phthalide Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H24N2O3/c26-22(17-21-19-10-4-5-11-20(19)23(27)28-21)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11,21H,12-17H2/p+1/b9-6+/t21-/m0/s1