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

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazolidine-2,4,5-trione Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazolidine-2,4,5-trione CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-methylimidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methylimidazolidine-2,4,5-trione Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazolidine-2,4,5-trione Formula: C18H23N4O7S+ MolecularWeight: 439.46282

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H22N4O7S/c1-19-16(23)17(24)22(18(19)25)12-20-5-7-21(8-6-20)30(26,27)13-3-4-14-15(11-13)29-10-2-9-28-14/h3-4,11H,2,5-10,12H2,1H3/p+1