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

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium chloride Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(E)-cinnamyl]piperazin-1-ium chloride CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium chloride IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium chloride Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-[(E)-cinnamyl]piperazin-1-ium chloride Formula: C26H28Cl2N2 MolecularWeight: 439.41992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC=CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2.ClH/c27-25-15-13-24(14-16-25)26(23-11-5-2-6-12-23)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22;/h1-16,26H,17-21H2;1H/b10-7+;