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

Systemtic Name: 2,2-dimethyl-7-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]-3H-chromen-4-one Openeye Name: 7-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]-2,2-dimethyl-chroman-4-one CAS Name: 2,2-dimethyl-7-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-7-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]-3H-chromen-4-one Traditional Name: 7-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethoxy]-2,2-dimethyl-chroman-4-one Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N2O4/c1-26(2)18-23(29)22-11-10-21(17-24(22)32-26)31-19-25(30)28-15-13-27(14-16-28)12-6-9-20-7-4-3-5-8-20/h3-11,17H,12-16,18-19H2,1-2H3/p+1/b9-6+