1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitro-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-nitro-2-furyl)methyl]-4-piperonyl-piperazin-1-ium Formula: C17H20N3O5+ MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O5/c21-20(22)17-4-2-14(25-17)11-19-7-5-18(6-8-19)10-13-1-3-15-16(9-13)24-12-23-15/h1-4,9H,5-8,10-12H2/p+1