2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H21N3O5S/c24-29(25,15-5-6-18-19(13-15)27-12-11-26-18)23-9-7-22(8-10-23)14-20-21-16-3-1-2-4-17(16)28-20/h1-6,13H,7-12,14H2/p+1