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

Systemtic Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Openeye Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide CAS Name: (2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(2-nitrophenyl)propanamide IUPAC Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-nitrophenyl)propanamide Traditional Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-nitrophenyl)propionamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-11-8-12(2)10-18(9-11)13(3)16(20)17-14-6-4-5-7-15(14)19(21)22/h4-7,11-13H,8-10H2,1-3H3,(H,17,20)/p+1/t11-,12-,13+/m1/s1