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dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylazaniumyl]ethyl]azanium

dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylazaniumyl]ethyl]azanium

Systemtic Name:dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylazaniumyl]ethyl]azanium
Openeye Name:dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylammonio]ethyl]ammonium
CAS Name:dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylammonio]ethyl]ammonium
IUPAC Name:dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylazaniumyl]ethyl]azanium
Traditional Name:dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylammonio]ethyl]ammonium
Formula: C12H19N3O4+2
MolecularWeight: 269.29696
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCO2


Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCO2


InChI

InChI=1S/C12H17N3O4/c1-14(2)4-3-13-7-9-5-11-12(19-8-18-11)6-10(9)15(16)17/h5-6,13H,3-4,7-8H2,1-2H3/p+2


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