(3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-naphthalen-2-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-naphthyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-1-(2-naphthalenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-naphthalen-2-ylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-naphthyl)pyrrolidine-2,5-quinone Formula: C26H26N3O6S+ MolecularWeight: 508.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC4=CC=CC=C4C=C3)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C26H25N3O6S/c30-25-17-22(26(31)29(25)20-6-5-18-3-1-2-4-19(18)15-20)27-9-11-28(12-10-27)36(32,33)21-7-8-23-24(16-21)35-14-13-34-23/h1-8,15-16,22H,9-14,17H2/p+1/t22-/m0/s1