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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: homopiperonyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C17H17N2O6+ MolecularWeight: 345.32668

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H16N2O6/c20-19(21)13-7-17-16(24-10-25-17)6-12(13)8-18-4-3-11-1-2-14-15(5-11)23-9-22-14/h1-2,5-7,18H,3-4,8-10H2/p+1