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

Systemtic Name: 4-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-16(23-11-13-24(14-12-23)17-7-3-2-4-8-17)21(27)25-15-20(26)22-18-9-5-6-10-19(18)25/h2-10,16H,11-15H2,1H3,(H,22,26)/p+1/t16-/m1/s1