N-(3-chloranyl-2-methyl-phenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClN3O2/c1-12-6-3-4-9-21(12)11-17(23)19-10-16(22)20-15-8-5-7-14(18)13(15)2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,19,23)(H,20,22)/p+1/t12-/m0/s1