2-[4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N3O4S/c30-25-23-9-3-4-10-24(23)26(31)29(25)14-6-5-13-27-15-17-28(18-16-27)34(32,33)22-12-11-20-7-1-2-8-21(20)19-22/h1-4,7-12,19H,5-6,13-18H2/p+1