1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O4/c1-29-22-18-21(19-23(30-2)25(22)31-3)11-12-24(28)27-16-14-26(15-17-27)13-7-10-20-8-5-4-6-9-20/h4-10,18-19H,11-17H2,1-3H3/p+1/b10-7+