6-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]chromone Formula: C23H25ClN2O2+2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O2/c24-20-8-9-22-21(15-20)23(27)19(17-28-22)16-26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-9,15,17H,10-14,16H2/p+2/b7-4+