1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C13H19N3O4+2 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H17N3O4/c1-14-2-4-15(5-3-14)8-10-6-12-13(20-9-19-12)7-11(10)16(17)18/h6-7H,2-5,8-9H2,1H3/p+2