3,3-dimethyl-4-[(2R)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[(2R)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 4-[(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2R)-1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propyl]-1H-quinoxalin-2-one IUPAC Name: 4-[(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C24H32N4O2+2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c1-18(27-15-13-26(14-16-27)17-19-9-5-4-6-10-19)22(29)28-21-12-8-7-11-20(21)25-23(30)24(28,2)3/h4-12,18H,13-17H2,1-3H3,(H,25,30)/p+2/t18-/m1/s1