(4-bromophenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-methyl-ammonium Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O/c1-15-12-19(25(23-15)18-6-4-3-5-7-18)22-20(26)14-24(2)13-16-8-10-17(21)11-9-16/h3-12H,13-14H2,1-2H3,(H,22,26)/p+1