(3R)-1-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C[NH+](C1)C[C@@H](COC2=CC=CC(=C2)[N+](=O)[O-])O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5/c25-19(15-29-20-10-4-9-18(12-20)24(27)28)14-23-11-5-6-16(13-23)21(26)22-17-7-2-1-3-8-17/h1-4,7-10,12,16,19,25H,5-6,11,13-15H2,(H,22,26)/p+1/t16-,19+/m1/s1