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

Systemtic Name: 3,3-dimethyl-4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]-1H-quinoxalin-2-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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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=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-22(2)21(28)23-18-10-6-7-11-19(18)26(22)20(27)16-24-12-14-25(15-13-24)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,23,28)/p+1