3-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]propyl-diethyl-azanium

Systemtic Name: 3-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]propyl-diethyl-azanium Openeye Name: 3-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]propyl-diethylazanium Traditional Name: 3-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]propyl-diethyl-ammonium Formula: C13H23BrN5O3+ MolecularWeight: 377.25742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H22BrN5O3/c1-4-17(5-2)8-6-7-15-11(20)9-18-10(3)12(14)13(16-18)19(21)22/h4-9H2,1-3H3,(H,15,20)/p+1