[(1S)-1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: [(1S)-1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: [(1S)-1-[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: [(1S)-1-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: [(1S)-1-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C12H15BrN3+ MolecularWeight: 281.1716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(C)[NH3+]

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)[C@H](C)[NH3+]

InChI

InChI=1S/C12H14BrN3/c1-8(14)12-7-15-16(9(12)2)11-5-3-10(13)4-6-11/h3-8H,14H2,1-2H3/p+1/t8-/m0/s1