(3S)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]phthalide Formula: C21H24N2O2+2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O2/c24-21-19-11-5-4-10-18(19)20(25-21)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-11,20H,12-16H2/p+2/b9-6+/t20-/m0/s1