2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzoxazole Formula: C21H25N3O+2 MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O/c1-2-7-18(8-3-1)9-6-12-23-13-15-24(16-14-23)17-21-22-19-10-4-5-11-20(19)25-21/h1-11H,12-17H2/p+2/b9-6+