4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-(4-piperonylpiperazin-1-ium-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

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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)OCO5

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O4/c1-16(23(29)27-14-22(28)24-18-4-2-3-5-19(18)27)26-10-8-25(9-11-26)13-17-6-7-20-21(12-17)31-15-30-20/h2-7,12,16H,8-11,13-15H2,1H3,(H,24,28)/p+1/t16-/m1/s1