1-[(E)-3-phenylprop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H23N3+2 MolecularWeight: 281.39532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N3/c1-2-7-17(8-3-1)9-6-12-20-13-15-21(16-14-20)18-10-4-5-11-19-18/h1-11H,12-16H2/p+2/b9-6+