1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Formula: C15H21BrNO+ MolecularWeight: 311.23734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C15H20BrNO/c1-11-7-12(2)9-17(8-11)10-15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3/p+1/t11-,12-/m0/s1