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

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-2-24-12-14-25(15-13-24)23(29)20(16-17-8-4-3-5-9-17)26-21(27)18-10-6-7-11-19(18)22(26)28/h3-11,20H,2,12-16H2,1H3/p+1/t20-/m0/s1