1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H29N4O6S+ MolecularWeight: 453.53246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N4O6S/c21-20(26)15-3-5-22(6-4-15)14-19(25)23-7-9-24(10-8-23)31(27,28)16-1-2-17-18(13-16)30-12-11-29-17/h1-2,13,15H,3-12,14H2,(H2,21,26)/p+1