2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]ethyl-diethyl-ammonium Formula: C16H26BrN6O+ MolecularWeight: 398.32124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H25BrN6O/c1-5-21(6-2)10-8-18-16(24)14-7-9-22(20-14)11-23-13(4)15(17)12(3)19-23/h7,9H,5-6,8,10-11H2,1-4H3,(H,18,24)/p+1