2-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3/c1-23-11-13-24(14-12-23)22(28)19(15-16-7-3-2-4-8-16)25-20(26)17-9-5-6-10-18(17)21(25)27/h2-10,19H,11-15H2,1H3/p+1/t19-/m0/s1