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

Systemtic Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Openeye Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Formula: C17H23N4O5S+ MolecularWeight: 395.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C17H22N4O5S/c1-13-18-19-17(26-13)12-20-5-7-21(8-6-20)27(22,23)14-3-4-15-16(11-14)25-10-2-9-24-15/h3-4,11H,2,5-10,12H2,1H3/p+1