N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H24BrN3O2/c1-12-9-14(18)6-7-15(12)20-16(22)10-19-17(23)11-21-8-4-3-5-13(21)2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,23)(H,20,22)/p+1/t13-/m0/s1