N-(2-bromophenyl)-2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(2-bromophenyl)-2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2-bromophenyl)-2-[[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2-bromophenyl)-2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(2-bromophenyl)-2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NCC(=O)NC2=CC=CC=C2Br)C

InChI

InChI=1S/C17H24BrN3O2/c1-12-7-13(2)10-21(9-12)11-17(23)19-8-16(22)20-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H,20,22)/p+1/t12-,13-/m0/s1