2-(4-chloranyl-2-methyl-phenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]ethanone Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O2/c1-18-16-20(23)9-10-21(18)27-17-22(26)25-14-12-24(13-15-25)11-5-8-19-6-3-2-4-7-19/h2-10,16H,11-15,17H2,1H3/p+1/b8-5+