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

Systemtic Name: 6-chloranyl-2-oxidanylidene-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-7-olate Openeye Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-2-oxo-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl]chromen-7-olate Traditional Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3/c24-20-14-19-18(13-23(28)29-22(19)15-21(20)27)16-26-11-9-25(10-12-26)8-4-7-17-5-2-1-3-6-17/h1-7,13-15,27H,8-12,16H2/b7-4+