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

Systemtic Name: 6-methyl-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-methyl-chromen-2-one CAS Name: 6-methyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-methyl-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-methyl-coumarin Formula: C24H27N2O2+ MolecularWeight: 375.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O2/c1-19-9-10-23-22(16-19)21(17-24(27)28-23)18-26-14-12-25(13-15-26)11-5-8-20-6-3-2-4-7-20/h2-10,16-17H,11-15,18H2,1H3/p+1/b8-5+