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

Systemtic Name: 2-butyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-butyl-isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-butylisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-butyl-isoindoline-1,3-quinone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-2-3-11-27-23(29)20-10-9-19(16-21(20)24(27)30)22(28)26-14-12-25(13-15-26)17-18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3/p+1