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

Systemtic Name: 2-[(2R)-1-oxidanylidene-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-methyl-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-oxo-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-oxo-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-2-keto-1-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O3/c1-14(24-19(26)15-6-2-3-7-16(15)20(24)27)18(25)23-12-10-22(11-13-23)17-8-4-5-9-21-17/h2-9,14H,10-13H2,1H3/p+1/t14-/m1/s1