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

Systemtic Name: 2-(3-methoxypropyl)-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-31-15-5-10-27-23(29)20-9-8-19(16-21(20)24(27)30)22(28)26-13-11-25(12-14-26)17-18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15,17H2,1H3/p+1