4-[(2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H33N4O3+ MolecularWeight: 413.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O3/c1-17(22(29)27-16-21(28)24-19-8-4-5-9-20(19)27)25-14-10-18(11-15-25)23(30)26-12-6-2-3-7-13-26/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3,(H,24,28)/p+1/t17-/m0/s1