2-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O4/c28-22(11-6-12-27-23(29)20-9-4-5-10-21(20)24(27)30)26-15-13-25(14-16-26)17-18-31-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2/p+1