2-butyl-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C24H33N4O4+ MolecularWeight: 441.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H32N4O4/c1-2-3-11-28-23(31)19-8-7-18(16-20(19)24(28)32)22(30)27-14-12-25(13-15-27)17-21(29)26-9-5-4-6-10-26/h7-8,16H,2-6,9-15,17H2,1H3/p+1