2-[4-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzoylpiperidin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-benzoyl-1-piperidin-1-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzoylpiperidin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzoylpiperidin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C24H27N2O3+ MolecularWeight: 391.48278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H26N2O3/c27-22(18-8-2-1-3-9-18)19-12-16-25(17-13-19)14-6-7-15-26-23(28)20-10-4-5-11-21(20)24(26)29/h1-5,8-11,19H,6-7,12-17H2/p+1