6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C21H29N4O6S2+ MolecularWeight: 497.60816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H28N4O6S2/c1-3-24(4-2)33(28,29)18-6-8-21(22-16-18)23-9-11-25(12-10-23)32(26,27)17-5-7-19-20(15-17)31-14-13-30-19/h5-8,15-16H,3-4,9-14H2,1-2H3/p+1