1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,4-diium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,4-diium Formula: C22H28N2O2+2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O2/c1-2-5-19(6-3-1)7-4-10-23-11-13-24(14-12-23)18-20-8-9-21-22(17-20)26-16-15-25-21/h1-9,17H,10-16,18H2/p+2/b7-4+