3-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]propyl-dimethyl-ammonium Formula: C16H22BrN4O+ MolecularWeight: 366.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4O/c1-20(2)9-3-8-18-16(22)14-6-4-13(5-7-14)11-21-12-15(17)10-19-21/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,18,22)/p+1