N-(3-chloranyl-2-methyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H28ClN3O+2 MolecularWeight: 385.93022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O/c1-18-20(23)10-5-11-21(18)24-22(27)17-26-15-13-25(14-16-26)12-6-9-19-7-3-2-4-8-19/h2-11H,12-17H2,1H3,(H,24,27)/p+2/b9-6+