2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one

Systemtic Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one Openeye Name: 5-[(E)-cinnamyl]oxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-[(E)-3-phenylprop-2-enoxy]-4-pyranone IUPAC Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one Traditional Name: 5-[(E)-cinnamyl]oxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OC/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-24-18-23(19-26-13-15-27(16-14-26)22-11-5-2-6-12-22)30-20-25(24)29-17-7-10-21-8-3-1-4-9-21/h1-12,18,20H,13-17,19H2/p+1/b10-7+