2-oxidanylidene-7-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-6-olate

Systemtic Name: 2-oxidanylidene-7-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-6-olate Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 2-oxo-7-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-6-olate IUPAC Name: 2-oxo-7-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-6-olate Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c32-27-19-26-24(18-29(33)34-28(26)20-25(27)23-11-5-2-6-12-23)21-31-16-14-30(15-17-31)13-7-10-22-8-3-1-4-9-22/h1-12,18-20,32H,13-17,21H2/b10-7+