5-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-[2-(4-morpholin-4-iumyl)ethyl]isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethyl)isoindoline-1,3-quinone Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H30N2O3/c27-22-20-2-1-19(24-13-16-9-17(14-24)11-18(10-16)15-24)12-21(20)23(28)26(22)4-3-25-5-7-29-8-6-25/h1-2,12,16-18H,3-11,13-15H2/p+1