1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylfuran-2-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromanylfuran-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-furyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromo-2-furanyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-bromofuran-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-[(5-bromo-2-furyl)methyl]-4-piperonyl-piperazine-1,4-diium Formula: C17H21BrN2O3+2 MolecularWeight: 381.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(O4)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(O4)Br

InChI

InChI=1S/C17H19BrN2O3/c18-17-4-2-14(23-17)11-20-7-5-19(6-8-20)10-13-1-3-15-16(9-13)22-12-21-15/h1-4,9H,5-8,10-12H2/p+2