1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-cinnamyl]piperazin-4-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-[(E)-cinnamyl]piperazin-4-ium Formula: C26H28ClN2O+ MolecularWeight: 419.96632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O/c27-24-11-13-25(14-12-24)30-26-10-4-8-23(20-26)21-29-18-16-28(17-19-29)15-5-9-22-6-2-1-3-7-22/h1-14,20H,15-19,21H2/p+1/b9-5+