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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=COC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=COC=C4

InChI

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