5,7-dimethyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-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]-5,7-dimethyl-chromen-2-one CAS Name: 5,7-dimethyl-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-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]-5,7-dimethyl-coumarin Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

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