4-methyl-7-[(2R)-2-oxidanyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[(2R)-2-oxidanyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propoxy]chromen-2-one Openeye Name: 7-[(2R)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-2-hydroxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CC[NH+](CC3)CC=CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@@H](CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O4/c1-20-16-26(30)32-25-17-23(9-10-24(20)25)31-19-22(29)18-28-14-12-27(13-15-28)11-5-8-21-6-3-2-4-7-21/h2-10,16-17,22,29H,11-15,18-19H2,1H3/p+1/b8-5+/t22-/m1/s1