2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29N3O2/c1-18-9-10-19(2)22(17-18)26-15-13-25(14-16-26)11-5-6-12-27-23(28)20-7-3-4-8-21(20)24(27)29/h3-4,7-10,17H,5-6,11-16H2,1-2H3/p+1