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

Systemtic Name: 3,3-dimethyl-4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one Formula: C21H27N5O2+2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H25N5O2/c1-21(2)20(28)23-16-7-3-4-8-17(16)26(21)19(27)15-24-11-13-25(14-12-24)18-9-5-6-10-22-18/h3-10H,11-15H2,1-2H3,(H,23,28)/p+2