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

Systemtic Name: 4-[(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-15(21(28)25-14-20(27)22-18-4-2-3-5-19(18)25)23-10-12-24(13-11-23)16-6-8-17(26)9-7-16/h2-9,15,26H,10-14H2,1H3,(H,22,27)/p+1/t15-/m1/s1