N-(5-chloranyl-2-nitro-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C15H20ClN3O3/c1-10-5-11(2)8-18(7-10)9-15(20)17-13-6-12(16)3-4-14(13)19(21)22/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,20)/p+1/t10-,11+