2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide Formula: C23H38N4O6S+2 MolecularWeight: 498.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

InChI

InChI=1S/C23H36N4O6S/c1-23(2,26-10-14-31-15-11-26)18-24-22(28)17-25-6-8-27(9-7-25)34(29,30)19-4-5-20-21(16-19)33-13-3-12-32-20/h4-5,16H,3,6-15,17-18H2,1-2H3,(H,24,28)/p+2