[(2R)-3-[(4R)-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl]-dimethyl-azanium

Systemtic Name: [(2R)-3-[(4R)-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [(2R)-3-[(4R)-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-2-methyl-3-oxo-propyl]-dimethyl-ammonium CAS Name: [(2R)-3-[(4R)-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-2-methyl-3-oxopropyl]-dimethylammonium IUPAC Name: [(2R)-3-[(4R)-4-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-2-methyl-3-oxopropyl]-dimethylazanium Traditional Name: [(2R)-3-[(4R)-4-(4-bromophenyl)-2-pyrazolin-3-yl]-2-hydroxy-3-keto-2-methyl-propyl]-dimethyl-ammonium Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](C)C)(C(=O)C1=NNCC1C2=CC=C(C=C2)Br)O

Isomeric SMILES

C[C@@](C[NH+](C)C)(C(=O)C1=NNC[C@H]1C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C15H20BrN3O2/c1-15(21,9-19(2)3)14(20)13-12(8-17-18-13)10-4-6-11(16)7-5-10/h4-7,12,17,21H,8-9H2,1-3H3/p+1/t12-,15+/m0/s1