6-ethyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 6-ethyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-ethyl-coumarin Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2/c1-2-20-10-11-24-23(17-20)22(18-25(28)29-24)19-27-15-13-26(14-16-27)12-6-9-21-7-4-3-5-8-21/h3-11,17-18H,2,12-16,19H2,1H3/p+1/b9-6+