4-[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-17(23(28)26-16-22(27)24-20-9-5-6-10-21(20)26)25-13-11-19(12-14-25)15-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3,(H,24,27)/p+1/t17-/m1/s1