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

Systemtic Name: dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]ethyl]ammonium CAS Name: dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]ethyl]azanium Traditional Name: dimethyl-[2-[(6-nitro-1,3-benzodioxol-5-yl)methylamino]ethyl]ammonium Formula: C12H18N3O4+ MolecularWeight: 268.28902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNCC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

C[NH+](C)CCNCC1=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+1