4-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H28N4O3/c1-17(24(30)28-16-23(29)25-20-4-2-3-5-21(20)28)27-11-9-26(10-12-27)15-18-6-7-22-19(14-18)8-13-31-22/h2-7,14,17H,8-13,15-16H2,1H3,(H,25,29)/p+1/t17-/m0/s1