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

Systemtic Name: 3-(4-methoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 3-(4-methoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-methoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-27-22-12-9-21(10-13-22)11-14-23(26)25-18-16-24(17-19-25)15-5-8-20-6-3-2-4-7-20/h2-10,12-13H,11,14-19H2,1H3/p+1/b8-5+