3,3-dimethyl-4-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2R)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one Formula: C22H29N5O2+2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H27N5O2/c1-16(25-12-14-26(15-13-25)19-10-6-7-11-23-19)20(28)27-18-9-5-4-8-17(18)24-21(29)22(27,2)3/h4-11,16H,12-15H2,1-3H3,(H,24,29)/p+2/t16-/m1/s1