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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)-N-methyl-acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)-N-methylacetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-N-(2-furfuryl)-N-methyl-acetamide Formula: C21H28N3O6S+ MolecularWeight: 450.52852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H27N3O6S/c1-22(15-17-4-2-11-28-17)21(25)16-23-7-9-24(10-8-23)31(26,27)18-5-6-19-20(14-18)30-13-3-12-29-19/h2,4-6,11,14H,3,7-10,12-13,15-16H2,1H3/p+1