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

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C19H22N3O2+ MolecularWeight: 324.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H21N3O2/c23-19(18-9-5-11-22(24)16-18)21-14-12-20(13-15-21)10-4-8-17-6-2-1-3-7-17/h1-9,11,16H,10,12-15H2/p+1/b8-4+