2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC)C

InChI

InChI=1S/C17H25N3O4/c1-11-5-12(2)9-19(8-11)10-17(21)18-14-7-16(24-4)15(20(22)23)6-13(14)3/h6-7,11-12H,5,8-10H2,1-4H3,(H,18,21)/p+1/t11-,12-/m1/s1