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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-11-7-12(2)10-19(9-11)13(3)17(21)18-15-8-14(20(22)23)5-6-16(15)24-4/h5-6,8,11-13H,7,9-10H2,1-4H3,(H,18,21)/p+1/t11-,12-,13+/m1/s1