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

Systemtic Name: 2-[(2S)-1-oxidanylidene-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-benzyl-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-oxo-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C26H25N4O3+ MolecularWeight: 441.5017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N4O3/c31-24-20-10-4-5-11-21(20)25(32)30(24)22(18-19-8-2-1-3-9-19)26(33)29-16-14-28(15-17-29)23-12-6-7-13-27-23/h1-13,22H,14-18H2/p+1/t22-/m0/s1