6-chloranyl-7-oxidanyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-oxidanyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-7-hydroxy-coumarin Formula: C23H25ClN2O3+2 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O

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/p+2/b7-4+