1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-furylmethyl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-furanylmethyl)piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-piperonyl-piperazine-1,4-diium Formula: C17H22N2O3+2 MolecularWeight: 302.36818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C17H20N2O3/c1-2-15(20-9-1)12-19-7-5-18(6-8-19)11-14-3-4-16-17(10-14)22-13-21-16/h1-4,9-10H,5-8,11-13H2/p+2