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

Systemtic Name: 6-ethyl-2-oxidanylidene-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-7-olate Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-2-oxo-chromen-7-olate CAS Name: 6-ethyl-2-oxo-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-7-olate IUPAC Name: 6-ethyl-2-oxo-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-7-olate Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-2-keto-chromen-7-olate Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H28N2O3/c1-2-20-15-22-21(16-25(29)30-24(22)17-23(20)28)18-27-13-11-26(12-14-27)10-6-9-19-7-4-3-5-8-19/h3-9,15-17,28H,2,10-14,18H2,1H3/b9-6+