5-bromanyl-2-(piperidin-1-ium-1-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-(piperidin-1-ium-1-ylmethyl)isoindole-1,3-dione Openeye Name: 5-bromo-2-(piperidin-1-ium-1-ylmethyl)isoindoline-1,3-dione CAS Name: 5-bromo-2-(1-piperidin-1-iumylmethyl)isoindole-1,3-dione IUPAC Name: 5-bromo-2-(piperidin-1-ium-1-ylmethyl)isoindole-1,3-dione Traditional Name: 5-bromo-2-(piperidin-1-ium-1-ylmethyl)isoindoline-1,3-quinone Formula: C14H16BrN2O2+ MolecularWeight: 324.19304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C14H15BrN2O2/c15-10-4-5-11-12(8-10)14(19)17(13(11)18)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2/p+1