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

Systemtic Name: 6-ethyl-7-oxidanyl-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]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-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]-6-ethyl-7-hydroxy-coumarin Formula: C25H30N2O3+2 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](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/p+2/b9-6+