[(5S)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(5S)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(5S)-3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(5S)-3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(5S)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(5S)-3-(3-bromophenyl)-2-isoxazolin-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C15H19BrN3O2+ MolecularWeight: 353.23426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@@H]2CC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H18BrN3O2/c1-18-5-7-19(8-6-18)15(20)14-10-13(17-21-14)11-3-2-4-12(16)9-11/h2-4,9,14H,5-8,10H2,1H3/p+1/t14-/m0/s1