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

Systemtic Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-11-5-4-8-18(10-11)12(2)16(20)17-14-9-13(19(21)22)6-7-15(14)23-3/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,17,20)/p+1/t11-,12+/m1/s1