(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-methyl-ammonium Formula: C16H22BrN4O+ MolecularWeight: 366.27608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN4O/c1-11-16(12(2)21(4)19-11)18-15(22)10-20(3)9-13-5-7-14(17)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,22)/p+1