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

Systemtic Name: 7-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-7-methoxy-coumarin Formula: C24H28N2O3+2 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3/c1-28-21-9-10-22-20(16-24(27)29-23(22)17-21)18-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3/p+2/b8-5+