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

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-11-6-12(2)9-18(8-11)10-16(20)17-14-5-4-13(19(21)22)7-15(14)23-3/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,17,20)/p+1/t11-,12-/m0/s1