2-(4-bromanylphenoxy)ethyl-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C20H22BrClN3O+ MolecularWeight: 435.76518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CCOC2=CC=C(C=C2)Br)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CCOC2=CC=C(C=C2)Br)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrClN3O/c1-15-19(20(22)25(23-15)17-6-4-3-5-7-17)14-24(2)12-13-26-18-10-8-16(21)9-11-18/h3-11H,12-14H2,1-2H3/p+1