5,6-bis(chloranyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C14H15Cl2N2O3+ MolecularWeight: 330.1865

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C14H14Cl2N2O3/c15-11-5-9-10(6-12(11)16)14(21)18(13(9)20)7-17-3-1-8(19)2-4-17/h5-6,8,19H,1-4,7H2/p+1