(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (3,5-dimethyl-4-nitropyrazol-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O3/c1-5-16-15(14-8-6-7-9-17(14)25-16)10-20(4)11-21-13(3)18(22(23)24)12(2)19-21/h6-9H,5,10-11H2,1-4H3/p+1