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

Systemtic Name: 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H26N2O2/c30-26-19-23(27-24-11-5-4-10-22(24)12-13-25(27)31-26)20-29-17-15-28(16-18-29)14-6-9-21-7-2-1-3-8-21/h1-13,19H,14-18,20H2/p+1/b9-6+