3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione

Systemtic Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione Openeye Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-imidazolidine-2,4-dione CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-1-methylimidazolidine-2,4-dione IUPAC Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-methylimidazolidine-2,4-dione Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1-methyl-hydantoin Formula: C18H25N4O6S+ MolecularWeight: 425.4793

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1CC(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H24N4O6S/c1-19-12-17(23)22(18(19)24)13-20-5-7-21(8-6-20)29(25,26)14-3-4-15-16(11-14)28-10-2-9-27-15/h3-4,11H,2,5-10,12-13H2,1H3/p+1