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

Systemtic Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-6-isopropyl-coumarin Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-20(2)22-10-11-25-24(17-22)23(18-26(29)30-25)19-28-15-13-27(14-16-28)12-6-9-21-7-4-3-5-8-21/h3-11,17-18,20H,12-16,19H2,1-2H3/p+1/b9-6+