2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C22H24N3O5S+ MolecularWeight: 442.50806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H23N3O5S/c26-20(18-14-23-19-4-2-1-3-17(18)19)15-24-7-9-25(10-8-24)31(27,28)16-5-6-21-22(13-16)30-12-11-29-21/h1-6,13-14,23H,7-12,15H2/p+1