1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-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-ethyl-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-ethyl-imidazolidine-2,4,5-trione CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-ethylimidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-ethylimidazolidine-2,4,5-trione Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-imidazolidine-2,4,5-trione Formula: C19H25N4O7S+ MolecularWeight: 453.4894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H24N4O7S/c1-2-22-17(24)18(25)23(19(22)26)13-20-6-8-21(9-7-20)31(27,28)14-4-5-15-16(12-14)30-11-3-10-29-15/h4-5,12H,2-3,6-11,13H2,1H3/p+1