5-(1-butylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione

Systemtic Name: 5-(1-butylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione Openeye Name: 5-(1-butylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione CAS Name: 5-(1-butyl-1-piperidin-1-iumyl)benzo[e]isoindole-1,3-dione IUPAC Name: 5-(1-butylpiperidin-1-ium-1-yl)benzo[e]isoindole-1,3-dione Traditional Name: 5-(1-butylpiperidin-1-ium-1-yl)benz[e]isoindole-1,3-quinone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCCC1)C2=CC3=C(C4=CC=CC=C42)C(=O)NC3=O

Isomeric SMILES

CCCC[N+]1(CCCCC1)C2=CC3=C(C4=CC=CC=C42)C(=O)NC3=O

InChI

InChI=1S/C21H24N2O2/c1-2-3-11-23(12-7-4-8-13-23)18-14-17-19(21(25)22-20(17)24)16-10-6-5-9-15(16)18/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3/p+1