4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)N2CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C18H25N3O2/c1-12-8-13(2)10-20(9-12)14(3)18(23)21-11-17(22)19-15-6-4-5-7-16(15)21/h4-7,12-14H,8-11H2,1-3H3,(H,19,22)/p+1/t12-,13-,14+/m1/s1